Geometry & MOs

Info

ID:	446626
PubChem CID:	135276489
Reduced:	FO3N5C26H30 (1)
Stoich.:	AB3C5D26E30 (1)
Weight, g/mol:	414.237939
ΔH_f, kcal/mol:	-59.69
Dipole, Da:	3.61
IP(EA), eV:	-8.61(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN=C2C1CC3=C(C=C(C=C3)OCCOC)N=C2NCCCCNC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations