Geometry & MOs

Info

ID:	402800
PubChem CID:	135057310
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	3.28
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(dimethylamino)methyl]-4-methylbenzoate

Drug info:

PubChemData

Smile

CCCCCOC(=O)C1=C(C=CC(=C1)OC)C2=CC=CC=N2

DOS

IR

Vibrations