Geometry & MOs

Info

ID:	77797
PubChem CID:	49661535
Reduced:	ClO3N4H17C25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	454.200491
ΔH_f, kcal/mol:	85.76
Dipole, Da:	5.0
IP(EA), eV:	-8.89(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-benzylpiperazin-1-yl)-4-oxo-3-phenylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC=C2C3=NOC(=N3)C4=NN(C=CC4=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations