Geometry & MOs

Info

ID:	220983
PubChem CID:	85248093
Reduced:	NO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	-157.61
Dipole, Da:	4.4
IP(EA), eV:	-9.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4,4-dimethyl-2-naphthalen-1-ylpentanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(C(=O)N1CCC=CC)(C)O

DOS

IR

Vibrations