Geometry & MOs

Info

ID:	314303
PubChem CID:	126621248
Reduced:	O7C34H34 (1)
Stoich.:	A7B34C34 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-184.67
Dipole, Da:	3.01
IP(EA), eV:	-8.39(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC(C1=CC(=CC=C1)OC2=CC=CC(=C2)C3=CC=CC4=CC5=C(C=CC(=C5)C(OC)(OC)OC)C=C43)(OC)OC

DOS

IR

Vibrations