Geometry & MOs

Info

ID:	243457
PubChem CID:	99224101
Reduced:	F3O3N4C19H21 (1)
Stoich.:	A3B3C4D19E21 (1)
Weight, g/mol:	491.216869
ΔH_f, kcal/mol:	-192.52
Dipole, Da:	5.31
IP(EA), eV:	-9.23(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2CCN(CC2)[C@@H](C)C(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations