Geometry & MOs

Info

ID:	323111
PubChem CID:	126672623
Reduced:	NOC24H25 (1)
Stoich.:	ABC24D25 (1)
Weight, g/mol:	240.151415
ΔH_f, kcal/mol:	-2.29
Dipole, Da:	4.3
IP(EA), eV:	-8.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-5-(2-methylphenyl)phenol

Drug info:

PubChemData

Smile

CCCCC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3C

DOS

IR

Vibrations