Geometry & MOs

Info

ID:	320941
PubChem CID:	126664272
Reduced:	BrN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	407.10697
ΔH_f, kcal/mol:	-60.28
Dipole, Da:	6.28
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methylbutan-2-yl)cyclopentyl] 2-(2,4-diazabicyclo[1.1.0]butan-1-yl)-2-(iodoamino)propanoate

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=CC2=NN1C)Br)O[C@H](C)C3CC(=O)N(C3)[C@@H](C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations