Geometry & MOs

Info

ID:	299938
PubChem CID:	118014700
Reduced:	ON4C15H19 (2)
Stoich.:	AB4C15D19 (2)
Weight, g/mol:	527.228102
ΔH_f, kcal/mol:	43.48
Dipole, Da:	4.32
IP(EA), eV:	-8.32(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3H-pyrazol-3-yl]acetate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CC(=C1)OC)N(CCN2CCC(CC2)N(C)C)C3=CC4=NC(=CN=C4C=C3)C5=CN(N=C5)C

DOS

IR

Vibrations