Geometry & MOs

Info

ID:	238450
PubChem CID:	92741238
Reduced:	BrN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-58.51
Dipole, Da:	4.97
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C(=O)C3=CC=C(N3C[C@]2(C)C(=O)NC4CCCC4)C5=CC=CO5)Br

DOS

IR

Vibrations