Geometry & MOs

Info

ID:	199282
PubChem CID:	79226362
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	5.16
Dipole, Da:	6.59
IP(EA), eV:	-8.6(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,3-dihydro-1-benzofuran-3-ylmethyl(propan-2-yl)amino]propanenitrile

Drug info:

PubChemData

Smile

CC(CN(C)CC1COC2=CC=CC=C12)C#N

DOS

IR

Vibrations