Geometry & MOs

Info

ID:	399450
PubChem CID:	135040323
Reduced:	NBr2O4C13H21 (1)
Stoich.:	AB2C4D13E21 (1)
Weight, g/mol:	330.03678
ΔH_f, kcal/mol:	-220.26
Dipole, Da:	2.74
IP(EA), eV:	-10.23(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(2E)-2-[(3-bromophenyl)methylidene]cyclohexylidene]-2-cyanoacetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@H](C[C@H]1C(=O)OC)Br)Br

DOS

IR

Vibrations