Geometry & MOs

Info

ID:	445619
PubChem CID:	135268594
Reduced:	ClFO4N5H21C22 (1)
Stoich.:	ABC4D5E21F22 (1)
Weight, g/mol:	480.172832
ΔH_f, kcal/mol:	-138.28
Dipole, Da:	5.59
IP(EA), eV:	-9.03(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-fluoro-5-[7-(1,4-oxazepan-4-yl)quinazolin-4-yl]phenyl]-(1-methyl-2H-pyridin-6-yl)methanol

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)CCCO)N(C(=N2)OC3=CC=CC(=C3Cl)N)CC4=CC=C(C=C4)F

DOS

IR

Vibrations