Geometry & MOs

Info

ID:	205553
PubChem CID:	80120376
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-119.26
Dipole, Da:	5.92
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-5-(3-ethylphenoxy)-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C(=O)O)OC2=CC=CC(=C2)C(=O)N

DOS

IR

Vibrations