Geometry & MOs

Info

ID:	323799
PubChem CID:	126676204
Reduced:	BrO2N4H13C16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	1.49
Dipole, Da:	5.23
IP(EA), eV:	-9.38(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[3-(3-hydroxypropyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CN(C1=O)CC2=C3C(=CC=C2)N=CC=N3)Br

DOS

IR

Vibrations