Geometry & MOs

Info

ID:	42369
PubChem CID:	8149482
Reduced:	ClFON3C20H23 (1)
Stoich.:	ABCD3E20F23 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-66.2
Dipole, Da:	4.85
IP(EA), eV:	-7.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)F)Cl)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations