Geometry & MOs

Info

ID:	140380
PubChem CID:	52688430
Reduced:	FON3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	449.158685
ΔH_f, kcal/mol:	4.94
Dipole, Da:	9.87
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3)F

DOS

IR

Vibrations