Geometry & MOs

Info

ID:	37570
PubChem CID:	8022280
Reduced:	ClN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	331.097521
ΔH_f, kcal/mol:	-141.76
Dipole, Da:	4.46
IP(EA), eV:	-9.29(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC=CC=C2Cl

DOS

IR

Vibrations