Geometry & MOs

Info

ID:	414311
PubChem CID:	135087267
Reduced:	ON6C22H26 (1)
Stoich.:	AB6C22D26 (1)
Weight, g/mol:	322.124132
ΔH_f, kcal/mol:	50.44
Dipole, Da:	4.04
IP(EA), eV:	-8.58(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)N3CCCC4(C3)CCC5=CN=C(N=C45)N(C)C

DOS

IR

Vibrations