Geometry & MOs

Info

ID:	407024
PubChem CID:	135079155
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	202.049075
ΔH_f, kcal/mol:	-9.22
Dipole, Da:	11.04
IP(EA), eV:	-9.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethylamino)-4-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=CC=C(C=C1)N2C=NN=C2)N

DOS

IR

Vibrations