Geometry & MOs

Info

ID:	221144
PubChem CID:	85256993
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	5.06
Dipole, Da:	2.9
IP(EA), eV:	-9.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-(4-hydroxyhepta-1,6-dien-4-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C3CC(=O)C(C2)N3C)C(=O)OC

DOS

IR

Vibrations