Geometry & MOs

Info

ID:	433013
PubChem CID:	135173150
Reduced:	O4C27H40 (1)
Stoich.:	A4B27C40 (1)
Weight, g/mol:	200.098334
ΔH_f, kcal/mol:	-166.38
Dipole, Da:	3.67
IP(EA), eV:	-8.47(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isothiocyanato-1-methoxy-2,2-dimethylpiperidine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)COC)C2(CCC(CC2)(C)C)C(=C)/C=C(/COC)\C(=C(C)C)O

DOS

IR

Vibrations