Geometry & MOs

Info

ID:	398652
PubChem CID:	135034576
Reduced:	FN3O4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	483.136112
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	5.67
IP(EA), eV:	-9.14(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-N-[(4-ethoxy-2-methoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-ol

Drug info:

PubChemData

Smile

CCCN1[C@@H]([C@H](N2C(=CC(=N2)C3=CC=C(C=C3)F)C1=O)C(=O)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations