Geometry & MOs

Info

ID:	415046
PubChem CID:	135088032
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-6.59
Dipole, Da:	3.25
IP(EA), eV:	-8.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)NCC3=CC(=NO3)C4=CC=CC=C4OC

DOS

IR

Vibrations