Geometry & MOs

Info

ID:	67989
PubChem CID:	46507554
Reduced:	ClO2N4H27C28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	257.062283
ΔH_f, kcal/mol:	-8.38
Dipole, Da:	4.37
IP(EA), eV:	-8.33(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(thiophen-2-ylmethylamino)-1H-quinazolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=C(C4=C(N3)C=CC(=C4)C)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations