Geometry & MOs

Info

ID:	276629
PubChem CID:	103824529
Reduced:	BrClNO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-81.02
Dipole, Da:	6.39
IP(EA), eV:	-9.06(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(O1)C(=O)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations