Geometry & MOs

Info

ID:	394733
PubChem CID:	135023660
Reduced:	N3O4H17C21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	310.146999
ΔH_f, kcal/mol:	81.07
Dipole, Da:	7.55
IP(EA), eV:	-9.47(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-1,3-diphenylprop-2-enyl]amino]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(C2=CC=CC=C2)NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations