Geometry & MOs

Info

ID:	169673
PubChem CID:	75135181
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	390.91817
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	5.51
IP(EA), eV:	-8.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromothiophen-2-yl)-2-(7-chloro-4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCN1CC(C(=O)N(C1=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C#N

DOS

IR

Vibrations