Geometry & MOs

Info

ID:	201909
PubChem CID:	79603721
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	5.98
IP(EA), eV:	-8.27(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminoethyl)-5-(3-ethoxypiperidin-1-yl)phenol

Drug info:

PubChemData

Smile

CCNC(C)C1=C(C=C(C=C1)N2CCS(=O)CC2)O

DOS

IR

Vibrations