Geometry & MOs

Info

ID:	148398
PubChem CID:	53788060
Reduced:	ON2C27H34 (1)
Stoich.:	AB2C27D34 (1)
Weight, g/mol:	419.154172
ΔH_f, kcal/mol:	-2.62
Dipole, Da:	2.21
IP(EA), eV:	-8.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

11-oxo-2-propan-2-yl-N-(2-pyridin-4-ylsulfanylethyl)-5H-pyrido[2,1-b]quinazolin-10-ium-8-carboxamide

Drug info:

PubChemData

Smile

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC3=CC=C(C=C3)OCC(C)CC

DOS

IR

Vibrations