Geometry & MOs

Info

ID:	183997
PubChem CID:	77101019
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	290.188195
ΔH_f, kcal/mol:	-100.53
Dipole, Da:	6.62
IP(EA), eV:	-10.16(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-tert-butyl-5-methylphenoxy)-2-ethylbut-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCOCCCC1=CC=NC=C1)C(=O)O

DOS

IR

Vibrations