Geometry & MOs

Info

ID:	77813
PubChem CID:	49661612
Reduced:	N2O3C12H13 (2)
Stoich.:	A2B3C12D13 (2)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-184.45
Dipole, Da:	9.46
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(azepan-1-yl)-3-(3,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N4CCC(CC4)C(=O)N)OC

DOS

IR

Vibrations