Geometry & MOs

Info

ID:

396238

PubChem CID:

135027832

Reduced:

NO2C15H24 (1)

Stoich.:

AB2C15D24 (1)

Weight, g/mol:

367.254271

ΔHf, kcal/mol:

-78.06

Dipole, Da:

4.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755613

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxa-10-azatricyclo[8.3.0.01,5]tridecan-4-one

Drug info:

PubChemData

Smile

CC1CC[N+]23CCC[C@H]4C2(CCC3)C(C1)C(=O)O4

DOS

IR

Vibrations