Geometry & MOs

Info

ID:	164296
PubChem CID:	74382781
Reduced:	N3O5H13C16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	328.132411
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	2.88
IP(EA), eV:	-9.32(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-2-cyano-3-(1H-imidazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C#N

DOS

IR

Vibrations