Geometry & MOs

Info

ID:	89901
PubChem CID:	49965297
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	380.161031
ΔH_f, kcal/mol:	-58.72
Dipole, Da:	15.53
IP(EA), eV:	-8.15(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,4S)-6-hydroxy-4-(3-methoxy-4-propan-2-yloxyphenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)[C@@H]2[C@H](C(=O)NC(=O)C2=C=[N-])[N+]3=CC=CC=C3)OC

DOS

IR

Vibrations