Geometry & MOs

Info

ID:	416699
PubChem CID:	135090128
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	355.180839
ΔH_f, kcal/mol:	-66.17
Dipole, Da:	2.56
IP(EA), eV:	-8.82(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN1C=CN=C1CN(CCO)CC(=O)N2CCOC3=CC=CC=C32

DOS

IR

Vibrations