Geometry & MOs

Info

ID:	371849
PubChem CID:	131275316
Reduced:	NO4H7C10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-59.38
Dipole, Da:	4.86
IP(EA), eV:	-10.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-(propan-2-yloxymethyl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)OC2=NOC=C2

DOS

IR

Vibrations