Geometry & MOs

Info

ID:	282813
PubChem CID:	103940495
Reduced:	N3O3C13H25 (1)
Stoich.:	A3B3C13D25 (1)
Weight, g/mol:	281.154642
ΔH_f, kcal/mol:	-117.62
Dipole, Da:	4.39
IP(EA), eV:	-8.76(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[[[(1S)-1-cycloheptylethyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)OCC(=O)N(CC(=NO)N)C1CCCC1

DOS

IR

Vibrations