Geometry & MOs

Info

ID:	189954
PubChem CID:	77931847
Reduced:	ON4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	279.11384
ΔH_f, kcal/mol:	162.93
Dipole, Da:	4.02
IP(EA), eV:	-9.47(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[1-(3-hydroxypyrrolidin-2-yl)ethylamino]-3-methylbenzonitrile

Drug info:

PubChemData

Smile

C1C=CC(N1)CN=C2C=CC3=NC(=O)C4=CC=CC=C4C3=N2

DOS

IR

Vibrations