Geometry & MOs

Info

ID:	302523
PubChem CID:	124365763
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-5.23
Dipole, Da:	4.49
IP(EA), eV:	-8.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCC[C@H](C2)[C@H](C3=CC=CC=N3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations