Geometry & MOs

Info

ID:	292220
PubChem CID:	114510913
Reduced:	ClNOC10H18 (1)
Stoich.:	ABCD10E18 (1)
Weight, g/mol:	298.10842
ΔH_f, kcal/mol:	-59.69
Dipole, Da:	2.24
IP(EA), eV:	-9.03(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chloro-2-nitrophenyl)methyl]-3-ethylpiperidin-4-ol

Drug info:

PubChemData

Smile

CCC1CN(CCC1O)CC(=C)Cl

DOS

IR

Vibrations