Geometry & MOs

Info

ID:	84233
PubChem CID:	49865083
Reduced:	F2N3O3H21C24 (1)
Stoich.:	A2B3C3D21E24 (1)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	-94.06
Dipole, Da:	4.27
IP(EA), eV:	-8.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indazol-6-ylmethyl)-2-(3,4,5-trimethoxyphenyl)quinazoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations