Geometry & MOs

Info

ID:	392842
PubChem CID:	135018161
Reduced:	NSO7C35H39 (1)
Stoich.:	ABC7D35E39 (1)
Weight, g/mol:	207.162314
ΔH_f, kcal/mol:	-250.03
Dipole, Da:	4.86
IP(EA), eV:	-8.38(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hexyl-4-methylpyrrol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(CCCC3)C4=C(C(=CC(=C42)OC)C(=O)OC5=CC=CC=C5)C[C@@H]6C(OC(O6)(C)C)(C)C

DOS

IR

Vibrations