Geometry & MOs

Info

ID:	323176
PubChem CID:	126673218
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-160.57
Dipole, Da:	3.97
IP(EA), eV:	-8.89(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)[C@H](CC1=CC=C(C=C1)O)N)(C(=O)O)N

DOS

IR

Vibrations