Geometry & MOs

Info

ID:	158871
PubChem CID:	57244120
Reduced:	ON2C41H82 (1)
Stoich.:	AB2C41D82 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-204.93
Dipole, Da:	3.56
IP(EA), eV:	-8.8(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-tert-butylphenyl)butan-1-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC1=NCCN1CC(CCCCCCCCCCCCCCCCCC)O

DOS

IR

Vibrations