Geometry & MOs

Info

ID:	336067
PubChem CID:	127255074
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	-113.71
Dipole, Da:	7.26
IP(EA), eV:	-9.06(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-oxo-6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]hexyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=O)N1CCCC(=O)N[C@@H](C)C2=NC3=CC=CC=C3N2CC(C)C)O

DOS

IR

Vibrations