Geometry & MOs

Info

ID:	273251
PubChem CID:	103770766
Reduced:	ClN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-68.47
Dipole, Da:	2.58
IP(EA), eV:	-9.75(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC(=NC2=CC=CC=C21)Cl)O

DOS

IR

Vibrations