Geometry & MOs

Info

ID:	302525
PubChem CID:	124365792
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	3.82
IP(EA), eV:	-8.05(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC[C@@H](C2)[C@H](C3=CC=CC=N3)NC(=O)[C@@H]4CCCO4)OC

DOS

IR

Vibrations