Geometry & MOs

Info

ID:	146865
PubChem CID:	53763360
Reduced:	PS2O7C11H21 (1)
Stoich.:	AB2C7D11E21 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	-394.03
Dipole, Da:	1.46
IP(EA), eV:	-9.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-benzylidenecyclohexa-1,3-dien-1-yl)-butoxycyanamide

Drug info:

PubChemData

Smile

CCOC(=O)CC(C(=O)OC(C)O[14CH3])SP(=S)(OC)OC

DOS

IR

Vibrations