Geometry & MOs

Info

ID:	391448
PubChem CID:	135005231
Reduced:	NOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	350.12258
ΔH_f, kcal/mol:	-13.22
Dipole, Da:	4.28
IP(EA), eV:	-9.13(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-ditert-butyl-5-(2-methanidylpropan-2-yl)benzene-6-ide;palladium(2+)

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=NOCC23CCCC3)C

DOS

IR

Vibrations