Geometry & MOs

Info

ID:	290550
PubChem CID:	104644028
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	5.38
IP(EA), eV:	-10.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-cyanophenyl)methylamino]-2-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(CNCC1=CC(=CC=C1)C#N)(C(=O)O)O

DOS

IR

Vibrations