Geometry & MOs

Info

ID:	28430
PubChem CID:	827548
Reduced:	NSO4H7C11 (1)
Stoich.:	ABC4D7E11 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-35.7
Dipole, Da:	0.76
IP(EA), eV:	-10.2(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-cyclohexyl-5-phenyl-1H-pyrrole-3,4-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations