Geometry & MOs

Info

ID:	174742
PubChem CID:	75807853
Reduced:	N3O5C22H33 (1)
Stoich.:	A3B5C22D33 (1)
Weight, g/mol:	407.029539
ΔH_f, kcal/mol:	-191.51
Dipole, Da:	5.32
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCN(CC1COC2=CC=CC=C2O1)C(=O)NCC(C3CCOC3)N4CCOCC4

DOS

IR

Vibrations