Geometry & MOs

Info

ID:	365082
PubChem CID:	127316824
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-143.82
Dipole, Da:	3.54
IP(EA), eV:	-8.65(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N-phenylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C(CC(C)C)N3C(=O)C4CC=CCC4C3=O

DOS

IR

Vibrations