Geometry & MOs

Info

ID:	77812
PubChem CID:	49661611
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	466.185235
ΔH_f, kcal/mol:	-139.22
Dipole, Da:	4.84
IP(EA), eV:	-8.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-carbamoylpiperidin-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=C2N4CCCC4)OC

DOS

IR

Vibrations