Geometry & MOs

Info

ID:	365238
PubChem CID:	127317086
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	-79.18
Dipole, Da:	4.69
IP(EA), eV:	-8.78(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-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)NC(=O)NC3CC3

DOS

IR

Vibrations