Geometry & MOs

Info

ID:	413072
PubChem CID:	135086016
Reduced:	NO3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	344.08881
ΔH_f, kcal/mol:	-48.73
Dipole, Da:	2.56
IP(EA), eV:	-8.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-1-pent-4-ynylindol-3-yl)-N-tert-butylmethanimine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(/C2=C(C3=CC=CC=C3N2)C=O)\C(=O)OC

DOS

IR

Vibrations