Geometry & MOs

Info

ID:	42433
PubChem CID:	8149551
Reduced:	Cl2N5H15C21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	381.278013
ΔH_f, kcal/mol:	144.21
Dipole, Da:	1.97
IP(EA), eV:	-8.62(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=C1[C@@H](N3C(=N2)C=CC(=N3)Cl)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations