Geometry & MOs

Info

ID:	354502
PubChem CID:	127287051
Reduced:	ClO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	-103.54
Dipole, Da:	8.13
IP(EA), eV:	-8.67(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CCNC(=O)N2CCCC2CN3CCCC3

DOS

IR

Vibrations