Geometry & MOs

Info

ID:	39924
PubChem CID:	8143217
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	409.143129
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	11.17
IP(EA), eV:	-8.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C(=O)CN(CCOC)CC1=NC(=O)C2=CC=CC=C2N1)C3(CCCCC3)C#N

DOS

IR

Vibrations