Geometry & MOs

Info

ID:

394797

PubChem CID:

135023830

Reduced:

ON2H17C19 (1)

Stoich.:

AB2C17D19 (1)

Weight, g/mol:

351.204573

ΔHf, kcal/mol:

62.16

Dipole, Da:

5.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.057830

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[(S)-(2,3-dimethoxyphenyl)-hydroxymethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=CC=[N+]2NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations