Geometry & MOs

Info

ID:	413856
PubChem CID:	135086807
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	408.277678
ΔH_f, kcal/mol:	36.32
Dipole, Da:	2.79
IP(EA), eV:	-8.15(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 11-[2-(tert-butyliminomethyl)-1-methylindol-3-yl]undec-10-ynoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations