Geometry & MOs

Info

ID:	392638
PubChem CID:	135017438
Reduced:	NCl3O9C21H24 (1)
Stoich.:	AB3C9D21E24 (1)
Weight, g/mol:	252.101111
ΔH_f, kcal/mol:	-370.53
Dipole, Da:	2.95
IP(EA), eV:	-9.57(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopyridin-2-yl)-7-methyl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C(O[C@@H](C(C1OC(=O)C)OC(=O)C)OC(=N)C(Cl)(Cl)Cl)COCC2=CC=CC=C2

DOS

IR

Vibrations