Geometry & MOs

Info

ID:	80140
PubChem CID:	49833221
Reduced:	BrOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	457.13649
ΔH_f, kcal/mol:	-26.02
Dipole, Da:	2.53
IP(EA), eV:	-9.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-2-N-[(4-bromophenyl)methyl]-3-N-piperidin-4-ylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CC(=O)C[C@@H]1C2=CC=C(C=C2)Br

DOS

IR

Vibrations