Geometry & MOs

Info

ID:	300547
PubChem CID:	121360495
Reduced:	NO4C32H55 (1)
Stoich.:	AB4C32D55 (1)
Weight, g/mol:	375.06226
ΔH_f, kcal/mol:	-231.21
Dipole, Da:	5.45
IP(EA), eV:	-9.28(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[[(5Z,7E,9E)-7-methylbenzo[8]annulen-6-yl]methyl]-1H-indole

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OCCCN(CC(=O)O)O)C)C

DOS

IR

Vibrations