Geometry & MOs

Info

ID:	186381
PubChem CID:	77425948
Reduced:	OSN5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	420.227374
ΔH_f, kcal/mol:	48.89
Dipole, Da:	10.04
IP(EA), eV:	-8.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3,5-dimethoxyphenyl)-2-N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C2(CC3CCC(C2)N3C(=O)C4CSC(=C4)C5CNNC5)C#N

DOS

IR

Vibrations