Geometry & MOs

Info

ID:	327877
PubChem CID:	126691205
Reduced:	O2N5H21C25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	371.185844
ΔH_f, kcal/mol:	83.54
Dipole, Da:	4.74
IP(EA), eV:	-9.43(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propyl]-3-methylimidazo[4,5-f]quinoline

Drug info:

PubChemData

Smile

C[C@@H]1CC(CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NOC6=CC=CC=C65

DOS

IR

Vibrations