Geometry & MOs

Info

ID:	311173
PubChem CID:	126589724
Reduced:	N4O8C45H46 (1)
Stoich.:	A4B8C45D46 (1)
Weight, g/mol:	379.096666
ΔH_f, kcal/mol:	-195.22
Dipole, Da:	2.78
IP(EA), eV:	-8.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol

Drug info:

PubChemData

Smile

CCC(=O)CCC(=O)N1C[C@@H]2CC3=CC=CC=C3N2C(=O)C4=CC(=C(C=C41)OCCCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CC8=CC=CC=C8N7C6=O)OC)OC

DOS

IR

Vibrations