Geometry & MOs

Info

ID:	237615
PubChem CID:	92720037
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	443.12084
ΔH_f, kcal/mol:	-123.48
Dipole, Da:	4.48
IP(EA), eV:	-9.22(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-(4-bromo-3-methylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)[C@@H]2C3=CC=CN3CC(=O)N2CCOC

DOS

IR

Vibrations