Geometry & MOs

Info

ID:	121176
PubChem CID:	50757965
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	457.236542
ΔH_f, kcal/mol:	-67.01
Dipole, Da:	4.5
IP(EA), eV:	-8.96(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN2C(=CC=C2C(=O)N1CC3=CC=CC=C3OC)C4=CC=CC=C4)C(=O)NC5CCCC5

DOS

IR

Vibrations