Geometry & MOs

Info

ID:	184830
PubChem CID:	77215683
Reduced:	PN4O7C27H37 (1)
Stoich.:	AB4C7D27E37 (1)
Weight, g/mol:	434.278072
ΔH_f, kcal/mol:	-335.84
Dipole, Da:	8.76
IP(EA), eV:	-9.44(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexylcyclohexanamine;4-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)N1CCN(CC1)C(=O)C(C)(NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)C(C)C)P(=O)(O)O

DOS

IR

Vibrations