Geometry & MOs

Info

ID:	365523
PubChem CID:	127317968
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-56.29
Dipole, Da:	3.39
IP(EA), eV:	-8.77(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)NC3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations