Geometry & MOs

Info

ID:	201212
PubChem CID:	79507206
Reduced:	N5C9H17 (1)
Stoich.:	A5B9C17 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	51.39
Dipole, Da:	7.48
IP(EA), eV:	-9.84(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[butan-2-yl(methyl)amino]ethylsulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CC1CCCCCC1N2C(=NN=N2)N

DOS

IR

Vibrations