Geometry & MOs

Info

ID:	238422
PubChem CID:	92741103
Reduced:	O3N4C29H42 (1)
Stoich.:	A3B4C29D42 (1)
Weight, g/mol:	479.197569
ΔH_f, kcal/mol:	-113.81
Dipole, Da:	3.86
IP(EA), eV:	-8.61(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CCCN2C(=O)C3=CC=C(N3C[C@@]2(C)C(=O)NC4CCCCC4)C5=CC=CO5

DOS

IR

Vibrations