Geometry & MOs

Info

ID:	375022
PubChem CID:	131465226
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-92.45
Dipole, Da:	2.23
IP(EA), eV:	-8.25(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C)C(C)C(=O)OC

DOS

IR

Vibrations