Geometry & MOs

Info

ID:	169464
PubChem CID:	75106111
Reduced:	ClN2O9C29H35 (1)
Stoich.:	AB2C9D29E35 (1)
Weight, g/mol:	435.036506
ΔH_f, kcal/mol:	-350.5
Dipole, Da:	7.93
IP(EA), eV:	-8.86(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[7-(2,6-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;dihydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)CC(=O)NCCN6CCOCC6.Cl

DOS

IR

Vibrations