Geometry & MOs

Info

ID:	416147
PubChem CID:	135089155
Reduced:	FO3N4C22H31 (1)
Stoich.:	AB3C4D22E31 (1)
Weight, g/mol:	338.155432
ΔH_f, kcal/mol:	-100.14
Dipole, Da:	4.95
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C(CNC(=O)C1=C(ON=C1N(C)C)C2=CC(=C(C=C2)F)OC)N3CCCC3

DOS

IR

Vibrations