Geometry & MOs

Info

ID:	42430
PubChem CID:	8149548
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	381.278013
ΔH_f, kcal/mol:	-5.77
Dipole, Da:	3.77
IP(EA), eV:	-7.8(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-adamantyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1=CC=CC=C1)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations