Geometry & MOs

Info

ID:	27750
PubChem CID:	823414
Reduced:	SN2O2H14C19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	327.137162
ΔH_f, kcal/mol:	17.73
Dipole, Da:	3.29
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-methoxy-4-phenylquinazolin-2-yl)aniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCC(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations