Geometry & MOs

Info

ID:	127986
PubChem CID:	51025656
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	376.98989
ΔH_f, kcal/mol:	-31.34
Dipole, Da:	4.51
IP(EA), eV:	-8.87(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-[(2-bromo-5-carboxylatophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CC(=O)NNC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4

DOS

IR

Vibrations