Geometry & MOs

Info

ID:	275974
PubChem CID:	103819592
Reduced:	BrNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-100.49
Dipole, Da:	4.44
IP(EA), eV:	-9.42(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCC(CC1)C(C)O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations