Geometry & MOs

Info

ID:	446570
PubChem CID:	135276087
Reduced:	NC10H14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	454.194023
ΔH_f, kcal/mol:	29.23
Dipole, Da:	1.96
IP(EA), eV:	-8.22(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)CN(C)C1=CC(=C(C=C1C)CC2=CC=CC=C2)C

DOS

IR

Vibrations