Geometry & MOs

Info

ID:	281330
PubChem CID:	103913713
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-21.68
Dipole, Da:	4.32
IP(EA), eV:	-9.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)CC(CNC(C)C1=CC=CC(=C1)C#N)O

DOS

IR

Vibrations