Geometry & MOs

Info

ID:	272145
PubChem CID:	103727719
Reduced:	N3C12H17 (1)
Stoich.:	A3B12C17 (1)
Weight, g/mol:	297.085721
ΔH_f, kcal/mol:	53.21
Dipole, Da:	2.42
IP(EA), eV:	-8.64(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methylbutylsulfanyl)ethylsulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CC1(CC1)CN=C(N)NC2=CC=CC=C2

DOS

IR

Vibrations