Geometry & MOs

Info

ID:	413464
PubChem CID:	135086413
Reduced:	BrN2H23C24 (1)
Stoich.:	AB2C23D24 (1)
Weight, g/mol:	458.13576
ΔH_f, kcal/mol:	115.33
Dipole, Da:	2.52
IP(EA), eV:	-8.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-1-[[2-(2-phenylethynyl)cyclopenten-1-yl]methyl]indol-3-yl]-N-tert-butylmethanimine

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=C(N(C2=CC=CC=C21)C/C=C\C#CC3=CC=CC=C3)Br

DOS

IR

Vibrations