Geometry & MOs

Info

ID:	367838
PubChem CID:	127325946
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	397.214761
ΔH_f, kcal/mol:	-132.57
Dipole, Da:	8.0
IP(EA), eV:	-8.51(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-N-[2-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-oxoethyl]imidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(CCCC4=O)NC3=O

DOS

IR

Vibrations