Geometry & MOs

Info

ID:

163250

PubChem CID:

57655090

Reduced:

C37H39 (2)

Stoich.:

A37B39 (2)

Weight, g/mol:

311.239519

ΔHf, kcal/mol:

818.04

Dipole, Da:

0.27

IP(EA), eV:

 -8.67(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,8S)-2-(tert-butylsulfanylmethyl)-8-(2,2-dimethylpropyl)-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine

Drug info:

PubChemData

Smile

C1CC2C1C3C2C4C3C5C4C6C5C7C6C8C7C9C8C1C9C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2CC1

DOS

IR

Vibrations