Geometry & MOs

Info

ID:	131947
PubChem CID:	51283584
Reduced:	N2O6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	388.226312
ΔH_f, kcal/mol:	-131.99
Dipole, Da:	7.93
IP(EA), eV:	-8.43(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,6-dimethylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCCOC)OC)C

DOS

IR

Vibrations