Geometry & MOs

Info

ID:	418912
PubChem CID:	135107110
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-44.01
Dipole, Da:	3.8
IP(EA), eV:	-9.09(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylamino)-1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C

DOS

IR

Vibrations