Geometry & MOs

Info

ID:	416542
PubChem CID:	135089595
Reduced:	O2S2N3C15H17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-25.42
Dipole, Da:	4.47
IP(EA), eV:	-9.05(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CSC(=N3)N)C4=C1C=CS4

DOS

IR

Vibrations