Geometry & MOs

Info

ID:	230578
PubChem CID:	87571421
Reduced:	NO5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	472.272593
ΔH_f, kcal/mol:	-193.89
Dipole, Da:	1.83
IP(EA), eV:	-8.8(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-N-(oxolan-3-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=NOCCCCCC2COC(OC2)(C)C(=O)OC)C)C

DOS

IR

Vibrations