Geometry & MOs

Info

ID:	290545
PubChem CID:	104643606
Reduced:	ClNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-133.93
Dipole, Da:	5.22
IP(EA), eV:	-8.68(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-cyanoanilino)-2-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC(C)(C(=O)O)O)Cl

DOS

IR

Vibrations