Geometry & MOs

Info

ID:	23680
PubChem CID:	605376
Reduced:	O2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	205.085127
ΔH_f, kcal/mol:	33.63
Dipole, Da:	11.09
IP(EA), eV:	-9.39(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-5-(propan-2-ylamino)benzonitrile

Drug info:

PubChemData

Smile

CC(C)NC1=CC(=C(C=C1)[N+](=O)[O-])C#N

DOS

IR

Vibrations