Geometry & MOs

Info

ID:	391326
PubChem CID:	135004339
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	639.30326
ΔH_f, kcal/mol:	-101.97
Dipole, Da:	3.7
IP(EA), eV:	-8.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethylbenzamide;2,2-dimethylpropane-1,1-diol;palladium;tricyclohexylphosphanium

Drug info:

PubChemData

Smile

CCC1(CC2=C(C(=CN2C1=O)C3=CC=C(C=C3)C)C(=O)OC)C

DOS

IR

Vibrations