Geometry & MOs

Info

ID:	197976
PubChem CID:	79025143
Reduced:	FO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	254.118591
ΔH_f, kcal/mol:	-128.0
Dipole, Da:	5.14
IP(EA), eV:	-8.67(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-(3-chlorophenyl)propyl]butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=C(C=CC(=C1)NC(=O)C)F)N

DOS

IR

Vibrations