Geometry & MOs

Info

ID:	204557
PubChem CID:	79983316
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-7.43
Dipole, Da:	3.5
IP(EA), eV:	-9.6(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclopropylphenyl)-3-hydroxy-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1CCCC(C1)(C#N)C(C2=CC=CC=C2C3CC3)O

DOS

IR

Vibrations