Geometry & MOs

Info

ID:	435027
PubChem CID:	135177940
Reduced:	FON9C22H26 (1)
Stoich.:	ABC9D22E26 (1)
Weight, g/mol:	284.035255
ΔH_f, kcal/mol:	24.15
Dipole, Da:	4.72
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-8-phenylquinazoline-6-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1(CCN(CC1)C2=C(N=CC=C2)NC(=O)C3=NC(=CN=C3N)C4=NC=NC=C4F)N

DOS

IR

Vibrations