Geometry & MOs

Info

ID:	195238
PubChem CID:	78662540
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	369.147727
ΔH_f, kcal/mol:	10.4
Dipole, Da:	8.07
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 3-(1-benzyl-3-phenylpyrazol-4-yl)-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2)C)C=C(C#N)C(=O)OCC=C

DOS

IR

Vibrations