Geometry & MOs

Info

ID:	313653
PubChem CID:	126616806
Reduced:	N5H19C21 (1)
Stoich.:	A5B19C21 (1)
Weight, g/mol:	443.210633
ΔH_f, kcal/mol:	112.01
Dipole, Da:	3.82
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-N-[2-(2-aminopropanoylamino)-2-(2-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1C2=C(CC1(CN)C3=CC=CC(=C3)C4=C5C=CNC5=NC=N4)C=NC=C2

DOS

IR

Vibrations