Geometry & MOs

Info

ID:	446572
PubChem CID:	135276128
Reduced:	ON2C7H10 (3)
Stoich.:	AB2C7D10 (3)
Weight, g/mol:	430.232853
ΔH_f, kcal/mol:	-62.94
Dipole, Da:	6.61
IP(EA), eV:	-8.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=CC(=C(C=C3N=C2NCCCCNC(=O)CC(C)C)OC)OC

DOS

IR

Vibrations