Geometry & MOs

Info

ID:	238437
PubChem CID:	92741175
Reduced:	O3N4C28H40 (1)
Stoich.:	A3B4C28D40 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-108.57
Dipole, Da:	5.58
IP(EA), eV:	-8.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)[C@]2(CN3C(=CC=C3C(=O)N2CCCN4CCCCC4)C5=CC=CO5)C

DOS

IR

Vibrations