Geometry & MOs

Info

ID:	446605
PubChem CID:	135276334
Reduced:	ON4C11H14 (2)
Stoich.:	AB4C11D14 (2)
Weight, g/mol:	458.264154
ΔH_f, kcal/mol:	10.44
Dipole, Da:	3.65
IP(EA), eV:	-8.93(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(7,8-dimethoxy-1-propan-2-yl-[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)N4C=CN=C4)N=C2NCCCCNC(=O)OCC(C)C

DOS

IR

Vibrations