Geometry & MOs

Info

ID:	121175
PubChem CID:	50757964
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	457.236542
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	7.27
IP(EA), eV:	-8.8(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC=C(N2CC1(C)C(=O)NC3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations