Geometry & MOs

Info

ID:	264100
PubChem CID:	103428349
Reduced:	NCl2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	300.022104
ΔH_f, kcal/mol:	-16.95
Dipole, Da:	4.9
IP(EA), eV:	-8.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,6-dichloroindol-1-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CCCCCCCCN1C=CC2=C1C=C(C=C2Cl)Cl

DOS

IR

Vibrations