Geometry & MOs

Info

ID:	446561
PubChem CID:	135276013
Reduced:	OF3N3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	430.232853
ΔH_f, kcal/mol:	-188.5
Dipole, Da:	6.68
IP(EA), eV:	-8.71(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl N-[4-[(7,8-dimethoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate

Drug info:

PubChemData

Smile

CC1CC(C2=C(C=CC(=C12)NC(=O)/C(=C/N)/C(C(F)F)N)F)(C)C

DOS

IR

Vibrations