Geometry & MOs

Info

ID:	398825
PubChem CID:	135035621
Reduced:	NO2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	484.283826
ΔH_f, kcal/mol:	-44.61
Dipole, Da:	1.46
IP(EA), eV:	-8.21(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2,2-dicyanoethenyl)-2,3-dimethyl-5-[(E,2S)-4-[(2R)-2-methylpyrrolidin-1-yl]-2-phenylbut-3-enyl]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1CC2=C(C[C@@H]1C3=CC=CC=C3)NC4=CC=CC=C24

DOS

IR

Vibrations