Geometry & MOs

Info

ID:	224337
PubChem CID:	85341800
Reduced:	ON3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	93.18
Dipole, Da:	3.09
IP(EA), eV:	-8.35(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-acetyl-3-[acetyl(benzyl)amino]pyrrolidin-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=NOC)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42

DOS

IR

Vibrations