Geometry & MOs

Info

ID:	220582
PubChem CID:	85197890
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	333.99261
ΔH_f, kcal/mol:	-212.95
Dipole, Da:	1.56
IP(EA), eV:	-8.74(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibromo-(6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl)borane

Drug info:

PubChemData

Smile

CC(=O)OC(CC1=C(C2=CC=CC=C2N(C1=O)C)OC)C(C)(C)O

DOS

IR

Vibrations