Geometry & MOs

Info

ID:	302524
PubChem CID:	124365789
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-72.05
Dipole, Da:	2.03
IP(EA), eV:	-8.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC[C@@H](C2)[C@H](C3=CC=CC=N3)NC(=O)C4CCC4)OC

DOS

IR

Vibrations