Geometry & MOs

Info

ID:	365213
PubChem CID:	127317056
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	-71.96
Dipole, Da:	4.03
IP(EA), eV:	-8.55(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations