Geometry & MOs

Info

ID:	409274
PubChem CID:	135082054
Reduced:	ILiO2H4C7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	337.121512
ΔH_f, kcal/mol:	-17.9
Dipole, Da:	6.18
IP(EA), eV:	-8.15(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoyl-2-phenyl-4H-quinazoline-4-carbonitrile

Drug info:

PubChemData

Smile

[Li+].C1OC2=C(O1)[C-]=C(C=C2)I

DOS

IR

Vibrations