Geometry & MOs

Info

ID:	400758
PubChem CID:	135049009
Reduced:	BBrPC12H27 (1)
Stoich.:	ABCD12E27 (1)
Weight, g/mol:	270.170533
ΔH_f, kcal/mol:	-38.94
Dipole, Da:	6.96
IP(EA), eV:	-7.3(0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-carboxymethylidene-(cyclohexylmethyl)-[(2-methylpropan-2-yl)oxycarbonyl]azanium

Drug info:

PubChemData

Smile

[B-]([P+](CCCC)(CCCC)CCCC)Br

DOS

IR

Vibrations