Geometry & MOs

Info

ID:	338225
PubChem CID:	127258917
Reduced:	HICl2N2C4 (1)
Stoich.:	ABC2D2E4 (1)
Weight, g/mol:	446.314458
ΔH_f, kcal/mol:	61.17
Dipole, Da:	1.07
IP(EA), eV:	-9.98(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexylcyclohexanamine;(2R,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1=C(N=C(C(=N1)Cl)Cl)I

DOS

IR

Vibrations