Geometry & MOs

Info

ID:	365018
PubChem CID:	127316668
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	6.04
IP(EA), eV:	-8.62(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CN(C)S(=O)(=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations