Geometry & MOs

Info

ID:	69327
PubChem CID:	46530693
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	485.195071
ΔH_f, kcal/mol:	-97.24
Dipole, Da:	6.5
IP(EA), eV:	-9.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=C/C(=O)N2CCN(CC2)C(=O)N3CCCCC3

DOS

IR

Vibrations