Geometry & MOs

Info

ID:	146562
PubChem CID:	53705694
Reduced:	BrNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	537.34181
ΔH_f, kcal/mol:	-17.34
Dipole, Da:	4.46
IP(EA), eV:	-9.0(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCONC=C1C=C(C=CC1=O)Br

DOS

IR

Vibrations