Geometry & MOs

Info

ID:	398280
PubChem CID:	135032657
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	344.27153
ΔH_f, kcal/mol:	-177.07
Dipole, Da:	3.84
IP(EA), eV:	-9.68(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (E)-4,8,12-trimethyltridec-4-enoate

Drug info:

PubChemData

Smile

C/C(=C\CCNC(=O)OC(C)(C)C)/COC(=O)C1=CC=CC=C1

DOS

IR

Vibrations