Geometry & MOs

Info

ID:	211153
PubChem CID:	80902611
Reduced:	O2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	282.159295
ΔH_f, kcal/mol:	87.99
Dipole, Da:	5.66
IP(EA), eV:	-8.78(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)NN)[N+](=O)[O-])NCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations