Geometry & MOs

Info

ID:	340978
PubChem CID:	127263413
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	2.67
Dipole, Da:	3.53
IP(EA), eV:	-8.97(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(hydroxymethyl)phenyl]-4-methoxybutanenitrile

Drug info:

PubChemData

Smile

CC(C)C1=NNC2=C1CC(CC2)(C)N

DOS

IR

Vibrations