Geometry & MOs

Info

ID:	413999
PubChem CID:	135086952
Reduced:	N3C20H23 (1)
Stoich.:	A3B20C23 (1)
Weight, g/mol:	238.146999
ΔH_f, kcal/mol:	92.66
Dipole, Da:	2.38
IP(EA), eV:	-8.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=C(C2=CC=CC=C2N1C)C#CCCCC#N

DOS

IR

Vibrations