Geometry & MOs

Info

ID:	271199
PubChem CID:	103647513
Reduced:	BrSN2O2C16H25 (1)
Stoich.:	ABC2D2E16F25 (1)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	-69.19
Dipole, Da:	3.76
IP(EA), eV:	-9.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(1H-indol-7-ylmethyl)methanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCNCC1=CC(=CS1)Br)C2CC2

DOS

IR

Vibrations