Geometry & MOs

Info

ID:	167519
PubChem CID:	74841330
Reduced:	N2O2Cl3C31H31 (1)
Stoich.:	A2B2C3D31E31 (1)
Weight, g/mol:	347.049526
ΔH_f, kcal/mol:	-39.27
Dipole, Da:	2.55
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(7-chloro-4-oxo-4aH-quinazolin-2-yl)ethyl]-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)CN(CC2CCN(CC2)C(=O)C(C3=CC=CC=C3)Cl)C(=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations