Geometry & MOs

Info

ID:	343863
PubChem CID:	127267039
Reduced:	N6H18C19 (1)
Stoich.:	A6B18C19 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	125.76
Dipole, Da:	4.2
IP(EA), eV:	-8.87(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(5-nitropyridin-2-yl)piperidin-4-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=CC=CC=C2C#N)C3=NC4=NC=CN=C4C=C3

DOS

IR

Vibrations