Geometry & MOs

Info

ID:	30708
PubChem CID:	841752
Reduced:	NO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	303.219829
ΔH_f, kcal/mol:	-97.38
Dipole, Da:	4.96
IP(EA), eV:	-8.52(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(azepan-1-yl)-2-(4-tert-butylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCCCCC1)OC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations