Geometry & MOs

Info

ID:	167784
PubChem CID:	74874536
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-102.38
Dipole, Da:	7.94
IP(EA), eV:	-8.82(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-methylpent-2-enoylamino)benzoate

Drug info:

PubChemData

Smile

C1CCN(C(C1)CO)C(=O)C=CC2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations