Geometry & MOs

Info

ID:	42372
PubChem CID:	8149485
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-115.75
Dipole, Da:	2.21
IP(EA), eV:	-8.67(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C[C@H]2CCC=C2)C

DOS

IR

Vibrations