Geometry & MOs

Info

ID:	307355
PubChem CID:	125299675
Reduced:	NOH12C13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	66.38
Dipole, Da:	1.14
IP(EA), eV:	-8.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(3-methyl-5-oxopyrazol-4-yl)propanoate

Drug info:

PubChemData

Smile

C[C@H]1C(=C2C=CC=CC2=N1)C(C3=C(C(=CC=C3)OC)O)C4=C5C=CC=CC5=N[C@H]4C

DOS

IR

Vibrations