Geometry & MOs

Info

ID:	218034
PubChem CID:	85088773
Reduced:	O3C12H19 (2)
Stoich.:	A3B12C19 (2)
Weight, g/mol:	422.202799
ΔH_f, kcal/mol:	-267.75
Dipole, Da:	3.07
IP(EA), eV:	-8.48(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-5-(1-ethoxyethoxy)-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),9(16),10,12-pentaene

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1CC(CC2C1C(CC=C2)CCC(=O)CC(CC(=O)OC)O)C

DOS

IR

Vibrations