Geometry & MOs

Info

ID:	195237
PubChem CID:	78662165
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	-21.98
Dipole, Da:	7.4
IP(EA), eV:	-9.55(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-cyano-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(C(=O)N(C(=O)N2)CC(C)C#N)C3=CC=CC=C3)C

DOS

IR

Vibrations