Geometry & MOs

Info

ID:	426971
PubChem CID:	135154807
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	405.147727
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	2.33
IP(EA), eV:	-8.06(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-phenylmethoxyphenyl)-2-pyridin-3-ylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)N)N

DOS

IR

Vibrations