Geometry & MOs

Info

ID:	365218
PubChem CID:	127317066
Reduced:	FON2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	-156.65
Dipole, Da:	4.76
IP(EA), eV:	-8.69(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-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)NCC(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations