Geometry & MOs

Info

ID:	374518
PubChem CID:	131330781
Reduced:	INF2H4O4C8 (1)
Stoich.:	ABC2D4E4F8 (1)
Weight, g/mol:	185.095297
ΔH_f, kcal/mol:	-138.56
Dipole, Da:	2.26
IP(EA), eV:	-10.62(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-amino-3-cyanopropan-2-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1I)[N+](=O)[O-])C(=O)O)C(F)F

DOS

IR

Vibrations