Geometry & MOs

Info

ID:	322862
PubChem CID:	126671484
Reduced:	O3N6C27H28 (1)
Stoich.:	A3B6C27D28 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-18.9
Dipole, Da:	6.26
IP(EA), eV:	-8.82(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)CN3C4=C(C=C(C=C4)C5=CN=CC=C5)C(=N3)C(C)O

DOS

IR

Vibrations