Geometry & MOs

Info

ID:	446604
PubChem CID:	135276319
Reduced:	O2N6F7C19H19 (1)
Stoich.:	A2B6C7D19E19 (1)
Weight, g/mol:	436.233522
ΔH_f, kcal/mol:	-352.15
Dipole, Da:	6.88
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)OC)N=C2NCCCCNC(=O)C(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations