Geometry & MOs

Info

ID:	39893
PubChem CID:	8143150
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	407.163864
ΔH_f, kcal/mol:	4.97
Dipole, Da:	7.73
IP(EA), eV:	-9.0(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butyl-[(2-chloroquinolin-3-yl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=C(C=C1)C)CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations