Geometry & MOs

Info

ID:	302522
PubChem CID:	124365729
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	5.1
IP(EA), eV:	-8.11(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@H](CN2CCC[C@H](C2)C3=NC4=CC=CC=C4N3)O

DOS

IR

Vibrations