Geometry & MOs

Info

ID:	425746
PubChem CID:	135127782
Reduced:	F2O2N5C25H25 (1)
Stoich.:	A2B2C5D25E25 (1)
Weight, g/mol:	424.169939
ΔH_f, kcal/mol:	-64.13
Dipole, Da:	8.3
IP(EA), eV:	-8.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-6-(3-methoxycyclohexa-2,4-dien-1-yl)-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

C/C=C\C=C(/C(=C)C(=O)NCC(F)F)\NC1=NC(=NC2=C1C=C(C=C2C)OC)C3=CN=CC=C3

DOS

IR

Vibrations