Geometry & MOs

Info

ID:	142636
PubChem CID:	53069868
Reduced:	ON5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	84.46
Dipole, Da:	3.26
IP(EA), eV:	-9.36(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(4-benzyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N2C3=C(C=CC=N3)N=N2)C(=O)N4CCC(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations