Geometry & MOs

Info

ID:	371750
PubChem CID:	131271462
Reduced:	ON2C10H18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-36.64
Dipole, Da:	4.84
IP(EA), eV:	-9.64(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-2-methoxy-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCC(C#N)(C1CCCOCC1)N

DOS

IR

Vibrations