Geometry & MOs

Info

ID:	68215
PubChem CID:	46507980
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	445.140449
ΔH_f, kcal/mol:	21.6
Dipole, Da:	2.12
IP(EA), eV:	-8.8(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=NC=CN=C3N

DOS

IR

Vibrations