Geometry & MOs

Info

ID:	413906
PubChem CID:	135086857
Reduced:	BrN2C24H33 (1)
Stoich.:	AB2C24D33 (1)
Weight, g/mol:	446.13576
ΔH_f, kcal/mol:	33.5
Dipole, Da:	2.83
IP(EA), eV:	-8.34(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-1-[(E)-7-phenylhept-6-en-4-ynyl]indol-3-yl]-N-tert-butylmethanimine

Drug info:

PubChemData

Smile

CCCCCCC#CCCCN1C2=CC=CC=C2C(=C1Br)C=NC(C)(C)C

DOS

IR

Vibrations