Geometry & MOs

Info

ID:	365476
PubChem CID:	127317895
Reduced:	O2N5C17H31 (1)
Stoich.:	A2B5C17D31 (1)
Weight, g/mol:	371.127966
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	5.7
IP(EA), eV:	-8.74(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3,5-dichloropyridin-2-yl)amino]ethyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)CN1CCC(CC1)NC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations