Geometry & MOs

Info

ID:	84201
PubChem CID:	49865027
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-6.36
Dipole, Da:	8.65
IP(EA), eV:	-8.27(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]phenol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)N

DOS

IR

Vibrations