Geometry & MOs

Info

ID:	57681
PubChem CID:	22432434
Reduced:	ON8C31H34 (1)
Stoich.:	AB8C31D34 (1)
Weight, g/mol:	536.264822
ΔH_f, kcal/mol:	96.72
Dipole, Da:	1.96
IP(EA), eV:	-8.57(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCNC(=O)C3=CC(=CC=C3)NC4=NC5=CC=CC=C5N6C4=NN=C6

DOS

IR

Vibrations