Geometry & MOs

Info

ID:	197175
PubChem CID:	78932784
Reduced:	ON2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	30.04
Dipole, Da:	4.3
IP(EA), eV:	-8.99(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1S)-1-aminoethyl]phenoxy]butanenitrile

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1OCC2=CC=CC=C2C#N)N

DOS

IR

Vibrations