Geometry & MOs

Info

ID:	166980
PubChem CID:	74760950
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-131.97
Dipole, Da:	5.83
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyl-2-methoxyphenyl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NC(=O)N2CC(=O)NNC(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations