Geometry & MOs

Info

ID:	77816
PubChem CID:	49661617
Reduced:	FO3N4H25C27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	482.231791
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	1.93
IP(EA), eV:	-8.59(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)F)CC5=CC=CC=C5

DOS

IR

Vibrations