Geometry & MOs

Info

ID:	313182
PubChem CID:	126612401
Reduced:	NC13H23 (1)
Stoich.:	AB13C23 (1)
Weight, g/mol:	328.167459
ΔH_f, kcal/mol:	0.56
Dipole, Da:	1.64
IP(EA), eV:	-8.48(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxyethyl 4-butoxy-3-methylbenzoate

Drug info:

PubChemData

Smile

CC(CC1CCCCCC1)C(=C=C)N

DOS

IR

Vibrations