Geometry & MOs

Info

ID:	313633
PubChem CID:	126616762
Reduced:	FOCl2N4C26H27 (1)
Stoich.:	ABC2D4E26F27 (1)
Weight, g/mol:	443.233955
ΔH_f, kcal/mol:	-22.56
Dipole, Da:	4.6
IP(EA), eV:	-8.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]pyridine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CCN(CC1)NC(=O)N2CN(C3=C2CCCC3=CC4=CC=C(C=C4)F)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations