Geometry & MOs

Info

ID:	213846
PubChem CID:	81065477
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	312.12407
ΔH_f, kcal/mol:	-50.59
Dipole, Da:	7.06
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(2-chlorophenyl)ethylcarbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=CC=C(C=C1)C#N

DOS

IR

Vibrations