Geometry & MOs

Info

ID:	414224
PubChem CID:	135087180
Reduced:	ON2C23H24 (1)
Stoich.:	AB2C23D24 (1)
Weight, g/mol:	390.209599
ΔH_f, kcal/mol:	72.5
Dipole, Da:	3.09
IP(EA), eV:	-8.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-benzyl-3-(2-phenylethynyl)indol-2-yl]-N-tert-butylmethanimine

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=C(C2=CC=CC=C2N1COC)C#CC3=CC=CC=C3

DOS

IR

Vibrations