Geometry & MOs

Info

ID:	56832
PubChem CID:	22394314
Reduced:	NCl2O2H13C17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	186.136828
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	3.15
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-propan-2-ylpiperidin-4-yl)carbamic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2CCC3=C(C=C(C=C3)Cl)Cl)C(=O)O

DOS

IR

Vibrations