Geometry & MOs

Info

ID:	259184
PubChem CID:	103158519
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	344.03717
ΔH_f, kcal/mol:	-54.05
Dipole, Da:	5.19
IP(EA), eV:	-9.42(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromophenyl)methylcarbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(COC2=CC=CC=C2C#N)O

DOS

IR

Vibrations