Geometry & MOs

Info

ID:	121177
PubChem CID:	50757966
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	435.288577
ΔH_f, kcal/mol:	-68.02
Dipole, Da:	4.01
IP(EA), eV:	-8.84(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN2C(=CC=C2C(=O)N1CC3=CC(=CC=C3)OC)C4=CC=CC=C4)C(=O)NC5CCCC5

DOS

IR

Vibrations