Geometry & MOs

Info

ID:	225775
PubChem CID:	87226037
Reduced:	ON3C9H19 (1)
Stoich.:	AB3C9D19 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-40.58
Dipole, Da:	6.95
IP(EA), eV:	-9.03(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-bromobenzoyl)amino]cyclohexyl] formate

Drug info:

PubChemData

Smile

CN(C)CCN[C@H]1CCN(C1)C=O

DOS

IR

Vibrations