Geometry & MOs

Info

ID:	390205
PubChem CID:	134997738
Reduced:	NO6C16H17 (1)
Stoich.:	AB6C16D17 (1)
Weight, g/mol:	430.10842
ΔH_f, kcal/mol:	-188.5
Dipole, Da:	2.25
IP(EA), eV:	-9.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-benzyl-6-chloro-3-oxo-5-phenylpyrazin-2-yl)-2-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C\1=C(C2=CC=CC=C2NC(=O)/C1=C(/O)\OCC)O

DOS

IR

Vibrations