Geometry & MOs

Info

ID:	238432
PubChem CID:	92741158
Reduced:	N3O4C29H35 (1)
Stoich.:	A3B4C29D35 (1)
Weight, g/mol:	459.252192
ΔH_f, kcal/mol:	-112.63
Dipole, Da:	8.03
IP(EA), eV:	-8.59(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN2C(=O)C3=CC=C(N3C[C@]2(C)C(=O)NC4CCC(CC4)C)C5=CC=CO5

DOS

IR

Vibrations