Geometry & MOs

Info

ID:	174670
PubChem CID:	75804957
Reduced:	N5O6C20H29 (1)
Stoich.:	A5B6C20D29 (1)
Weight, g/mol:	330.173213
ΔH_f, kcal/mol:	-210.26
Dipole, Da:	6.26
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCCCCC(=O)NN=CC2CC(=O)NC(N2)O)OC

DOS

IR

Vibrations