Geometry & MOs

Info

ID:	56159
PubChem CID:	17422313
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	371.17461
ΔH_f, kcal/mol:	-48.24
Dipole, Da:	1.91
IP(EA), eV:	-8.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)C#N)F)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations