Geometry & MOs

Info

ID:	176520
PubChem CID:	76061791
Reduced:	NOC12H19 (2)
Stoich.:	ABC12D19 (2)
Weight, g/mol:	409.239683
ΔH_f, kcal/mol:	-72.01
Dipole, Da:	5.24
IP(EA), eV:	-8.05(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[4-(hydroxymethyl)-5-methyl-1H-pyrazol-3-yl]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCN1C(=CCC=N1)C2=CC=C(C=C2)OCCCOCC(C)CC

DOS

IR

Vibrations