Geometry & MOs

Info

ID:	414117
PubChem CID:	135087071
Reduced:	BO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	273.209264
ΔH_f, kcal/mol:	-163.74
Dipole, Da:	2.64
IP(EA), eV:	-8.87(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-benzylidene-4,4-dimethyl-N-(2-methylpropyl)pentanamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C\C2=CC=CC=C2)/C3CCCCC3

DOS

IR

Vibrations