Geometry & MOs

Info

ID:	380757
PubChem CID:	134971300
Reduced:	O2N5C10H15 (1)
Stoich.:	A2B5C10D15 (1)
Weight, g/mol:	443.176644
ΔH_f, kcal/mol:	27.89
Dipole, Da:	7.9
IP(EA), eV:	-8.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-4-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CNC12C=CC(=C3N1C(CN3)CN2C)[N+](=O)[O-]

DOS

IR

Vibrations