Geometry & MOs

Info

ID:	158533
PubChem CID:	56464141
Reduced:	SO3N4C20H28 (1)
Stoich.:	AB3C4D20E28 (1)
Weight, g/mol:	331.262363
ΔH_f, kcal/mol:	-59.25
Dipole, Da:	7.57
IP(EA), eV:	-9.23(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-N-[2-[cyclopropyl(methyl)amino]propyl]-2,5-dimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N)N(C)C3CC3

DOS

IR

Vibrations