Geometry & MOs

Info

ID:	327886
PubChem CID:	126691227
Reduced:	SN7C18H19 (1)
Stoich.:	AB7C18D19 (1)
Weight, g/mol:	359.185844
ΔH_f, kcal/mol:	135.66
Dipole, Da:	4.88
IP(EA), eV:	-8.44(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6,7-dihydroimidazo[4,5-h]quinoline

Drug info:

PubChemData

Smile

CC1=CN=C(C2N1NC(=N2)CCC3=NC4=C(N3C)SC5=C4C=CC=N5)C

DOS

IR

Vibrations