Geometry & MOs

Info

ID:	382599
PubChem CID:	134973857
Reduced:	BrN2O4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	120.0939
ΔH_f, kcal/mol:	-173.7
Dipole, Da:	2.15
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-tricyclo[4.2.1.02,5]non-3-ene

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)OC)NCC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)Br

DOS

IR

Vibrations