Geometry & MOs

Info

ID:	126414
PubChem CID:	50964087
Reduced:	N4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	374.185509
ΔH_f, kcal/mol:	63.16
Dipole, Da:	4.4
IP(EA), eV:	-8.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-5-[(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C[C@H]2CN(CC[C@@H]1N2)C3=C(C=CC=N3)C#N

DOS

IR

Vibrations