Geometry & MOs

Info

ID:	372457
PubChem CID:	131297948
Reduced:	ClON2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	206.061076
ΔH_f, kcal/mol:	-25.94
Dipole, Da:	3.32
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-7-chloro-2,6-dimethyl-2,3-dihydro-1H-indole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=C(C=C(C=C2)Cl)O

DOS

IR

Vibrations