Geometry & MOs

Info

ID:	303547
PubChem CID:	124489885
Reduced:	BrON2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-11.34
Dipole, Da:	2.15
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5S,9S,10R,13S)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Br)N

DOS

IR

Vibrations