Geometry & MOs

Info

ID:	323421
PubChem CID:	126674770
Reduced:	O3N4H26C37 (1)
Stoich.:	A3B4C26D37 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	68.53
Dipole, Da:	10.04
IP(EA), eV:	-8.81(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[(Z)-3-amino-4-(3-hydroxypiperidin-1-yl)-1-methyliminobut-2-en-2-yl]-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C)OC3=CC=C(C4=CC=CC=C43)C#N)OC5=CC=C(C6=CC=CC=C65)C#N

DOS

IR

Vibrations