Geometry & MOs

Info

ID:	445578
PubChem CID:	135268303
Reduced:	NC3H3 (7)
Stoich.:	AB3C3 (7)
Weight, g/mol:	433.251798
ΔH_f, kcal/mol:	133.31
Dipole, Da:	5.4
IP(EA), eV:	-8.36(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-[1-[(4-methylphenyl)methyl]-5,6-dihydroindol-3-yl]piperidin-1-yl]ethenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)NCCNC4=NC=C(C=N4)N

DOS

IR

Vibrations