Geometry & MOs

Info

ID:	365540
PubChem CID:	127317996
Reduced:	ClO2N4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	-93.5
Dipole, Da:	1.79
IP(EA), eV:	-8.72(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCCC(=O)NC3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations