Geometry & MOs

Info

ID:	185478
PubChem CID:	77302688
Reduced:	BrO2N3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	458.15689
ΔH_f, kcal/mol:	39.96
Dipole, Da:	3.97
IP(EA), eV:	-9.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-bromophenyl)-3-N-hexyl-3-N-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CC12C3C=CC2C(C3C(=O)NCC4=CC=C(C=C4)Br)C(=O)NCC5=CC=CC(=C5)CN

DOS

IR

Vibrations