Geometry & MOs

Info

ID:	128363
PubChem CID:	51041240
Reduced:	OCl2N2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	240.102941
ΔH_f, kcal/mol:	-81.07
Dipole, Da:	6.09
IP(EA), eV:	-9.54(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[1-(2-chlorophenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)CCCN.Cl

DOS

IR

Vibrations