Geometry & MOs

Info

ID:	444781
PubChem CID:	135263537
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	253.073893
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	7.4
IP(EA), eV:	-9.4(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-oxaldehydoylphenyl)benzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC[C@]2(C=C(C(=O)C([C@@H]2O1)(C)C)C#N)C

DOS

IR

Vibrations