Geometry & MOs

Info

ID:	213677
PubChem CID:	81064616
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-168.86
Dipole, Da:	3.37
IP(EA), eV:	-9.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzamido-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations