Geometry & MOs

Info

ID:	379921
PubChem CID:	134964220
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-116.23
Dipole, Da:	6.12
IP(EA), eV:	-9.41(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3-ethylphenyl)methyl]benzoate

Drug info:

PubChemData

Smile

C[C@]1(CC[C@H]1CC(=O)N2CCCCC2)CO

DOS

IR

Vibrations