Geometry & MOs

Info

ID:	447996
PubChem CID:	135287423
Reduced:	N10H24C29 (1)
Stoich.:	A10B24C29 (1)
Weight, g/mol:	401.202465
ΔH_f, kcal/mol:	259.73
Dipole, Da:	9.82
IP(EA), eV:	-8.65(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-cyclohexylsulfonylphenyl)-3,4-diethyl-1-methylpyrrol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CNCC7=CC=CC=C7)NN4)/N=C23

DOS

IR

Vibrations