Geometry & MOs

Info

ID:	195196
PubChem CID:	78653611
Reduced:	N2O7H14C16 (1)
Stoich.:	A2B7C14D16 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-124.7
Dipole, Da:	6.4
IP(EA), eV:	-8.68(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations