Geometry & MOs

Info

ID:	190557
PubChem CID:	78020588
Reduced:	O2Cl3N3C27H34 (1)
Stoich.:	A2B3C3D27E34 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-90.66
Dipole, Da:	3.91
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3,4,5-tetrahydroxypentan-2-yl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCCC1)OC2=C(C=CC(=C2)Cl)C3CCN(CC3)C(=O)C(CC4=C(C=C(C=C4)Cl)Cl)N

DOS

IR

Vibrations