Geometry & MOs

Info

ID:	368615
PubChem CID:	127329665
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-127.28
Dipole, Da:	4.04
IP(EA), eV:	-8.78(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1CC(=O)NC(=O)NC3CCCCC3

DOS

IR

Vibrations