Geometry & MOs

Info

ID:	418535
PubChem CID:	135105570
Reduced:	FO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	2.97
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N2C[C@H]3CC[C@@H](C2)C3N)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations