Geometry & MOs

Info

ID:	368607
PubChem CID:	127329640
Reduced:	ClO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	3.44
IP(EA), eV:	-8.71(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylcarbamoyl)-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)N(C)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations