Geometry & MOs

Info

ID:	421782
PubChem CID:	135116605
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-40.27
Dipole, Da:	5.26
IP(EA), eV:	-9.29(-1.07)
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]-[4-(2-methylpropyl)phenyl]methanone

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)N2C[C@H]3CC=CC[C@H]3C2)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations