Geometry & MOs

Info

ID:	415547
PubChem CID:	135088543
Reduced:	SO4N5C32H41 (1)
Stoich.:	AB4C5D32E41 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-119.09
Dipole, Da:	7.47
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC3=CN=C(S3)C4=CC=CC=C4C

DOS

IR

Vibrations