Geometry & MOs

Info

ID:	411127
PubChem CID:	135083937
Reduced:	BrMgN2O2C20H27 (1)
Stoich.:	ABC2D2E20F27 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	7.45
IP(EA), eV:	-9.12(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-(N-cyclohexyl-C-phenylcarbonimidoyl)carbamic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N=C(C2=CC=CC=C2)N(C3CCCCC3)C(=O)[O-].[Mg+2].[Br-]

DOS

IR

Vibrations