Geometry & MOs

Info

ID:	272119
PubChem CID:	103724505
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-96.8
Dipole, Da:	3.41
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-2-yl 3-amino-2-methylbenzoate

Drug info:

PubChemData

Smile

CCCC(C)OC(=O)C1=CC(=C(C=C1)Cl)N

DOS

IR

Vibrations