Geometry & MOs

Info

ID:	391683
PubChem CID:	135008313
Reduced:	NSH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	344.062006
ΔH_f, kcal/mol:	68.19
Dipole, Da:	4.15
IP(EA), eV:	-8.18(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-nitro-4-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CN1CC2=CC=CC=C2)C3=CC=CS3

DOS

IR

Vibrations