Geometry & MOs

Info

ID:	295064
PubChem CID:	117514241
Reduced:	BrNOC17H24 (1)
Stoich.:	ABCD17E24 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-41.91
Dipole, Da:	1.86
IP(EA), eV:	-8.9(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCCCC2=C1Br)C3CCCNC3

DOS

IR

Vibrations