Geometry & MOs

Info

ID:	277861
PubChem CID:	103831363
Reduced:	ClO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-91.04
Dipole, Da:	5.96
IP(EA), eV:	-8.95(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)N

DOS

IR

Vibrations