Geometry & MOs

Info

ID:	446608
PubChem CID:	135276355
Reduced:	FO2N6C25H31 (1)
Stoich.:	AB2C6D25E31 (1)
Weight, g/mol:	450.201553
ΔH_f, kcal/mol:	-42.03
Dipole, Da:	3.92
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3F)C4CCOC4)N(N=C2)C5=CC(=NC(=N5)C)N6CC(C6)O

DOS

IR

Vibrations