Geometry & MOs

Info

ID:	62819
PubChem CID:	26737015
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	463.174336
ΔH_f, kcal/mol:	-154.98
Dipole, Da:	5.16
IP(EA), eV:	-9.27(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl)amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)N3CCCC3)C(=O)OC

DOS

IR

Vibrations