Geometry & MOs

Info

ID:	70546
PubChem CID:	48413493
Reduced:	OS2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	412.283826
ΔH_f, kcal/mol:	-1.32
Dipole, Da:	5.58
IP(EA), eV:	-8.49(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=CS2

DOS

IR

Vibrations