Geometry & MOs

Info

ID:	282663
PubChem CID:	103935102
Reduced:	NOC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	185.177964
ΔH_f, kcal/mol:	-89.94
Dipole, Da:	3.61
IP(EA), eV:	-8.8(2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-ethylazepan-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](CN1CCC(CC1)C(C)(C)C)O

DOS

IR

Vibrations