Geometry & MOs

Info

ID:	123289
PubChem CID:	50840866
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-99.92
Dipole, Da:	5.77
IP(EA), eV:	-8.82(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,5-dimethylphenyl)-4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N4CCCCC4

DOS

IR

Vibrations