Geometry & MOs

Info

ID:	299175
PubChem CID:	117673909
Reduced:	N4O4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-38.33
Dipole, Da:	2.23
IP(EA), eV:	-9.05(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]-3-pyridin-3-ylquinazolin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2C=NC3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations