Geometry & MOs

Info

ID:	445313
PubChem CID:	135266051
Reduced:	NO3C25H43 (2)
Stoich.:	AB3C25D43 (2)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-434.94
Dipole, Da:	3.86
IP(EA), eV:	-8.87(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)OC(=O)CCCCC2=CC(=C(C=C2)CCCCC(=O)OC3CC(NC(C3)(C)C)(C)C)CCCCC(=O)OC(CC(C)(C)C)CC(C)(C)C)C

DOS

IR

Vibrations