Geometry & MOs

Info

ID:	28213
PubChem CID:	826326
Reduced:	SN5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	160.100048
ΔH_f, kcal/mol:	106.79
Dipole, Da:	4.17
IP(EA), eV:	-8.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(dimethylamino)methyl]benzonitrile

Drug info:

PubChemData

Smile

CSC1=NC2=NC3=C(C2=C4N1C=NN4)CCCC3

DOS

IR

Vibrations