Geometry & MOs

Info

ID:	25456
PubChem CID:	625325
Reduced:	O3C19H28 (1)
Stoich.:	A3B19C28 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-172.17
Dipole, Da:	2.88
IP(EA), eV:	-9.85(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC12CCC(=O)CC1CCC3C2CC(C4(C3CCC4=O)C)O

DOS

IR

Vibrations