Geometry & MOs

Info

ID:	413465
PubChem CID:	135086414
Reduced:	BrN2C27H27 (1)
Stoich.:	AB2C27D27 (1)
Weight, g/mol:	318.209599
ΔH_f, kcal/mol:	103.47
Dipole, Da:	2.67
IP(EA), eV:	-8.29(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-1-[3-[2-(cyclohexen-1-yl)ethynyl]-1-methylindol-2-yl]methanimine

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=C(N(C2=CC=CC=C21)CC3=C(CCC3)C#CC4=CC=CC=C4)Br

DOS

IR

Vibrations