Geometry & MOs

Info

ID:	37562
PubChem CID:	8022250
Reduced:	ClN2O5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	389.103
ΔH_f, kcal/mol:	-84.53
Dipole, Da:	9.87
IP(EA), eV:	-9.71(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl

DOS

IR

Vibrations