Geometry & MOs

Info

ID:	413681
PubChem CID:	135086630
Reduced:	NO3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	350.272199
ΔH_f, kcal/mol:	-52.26
Dipole, Da:	2.25
IP(EA), eV:	-8.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)/C(=C\CCC1=CC=CC=C1)/C2=C(C3=CC=CC=C3N2)C=O

DOS

IR

Vibrations