Geometry & MOs

Info

ID:	38042
PubChem CID:	8026591
Reduced:	O6H18C19 (1)
Stoich.:	A6B18C19 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-175.34
Dipole, Da:	5.34
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)OCC(=O)O)OC

DOS

IR

Vibrations