Geometry & MOs

Info

ID:	144542
PubChem CID:	53383262
Reduced:	N3O5C30H33 (1)
Stoich.:	A3B5C30D33 (1)
Weight, g/mol:	515.182062
ΔH_f, kcal/mol:	-130.62
Dipole, Da:	4.18
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(naphthalene-1-carbonyl)-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1C(=NC2=CC=CC=C2N1C(=O)CC3=CC(=CC(=C3)OC)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations