Geometry & MOs

Info

ID:	402867
PubChem CID:	135057601
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	275.113313
ΔH_f, kcal/mol:	-80.34
Dipole, Da:	1.57
IP(EA), eV:	-8.96(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(dimethylamino)methyl]-5-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=CC(=C1)Cl)CN(C)C

DOS

IR

Vibrations