Geometry & MOs

Info

ID:	155987
PubChem CID:	56368622
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-111.41
Dipole, Da:	3.68
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbonyl]-methylamino]acetate

Drug info:

PubChemData

Smile

CC1CN(CC(O1)(C)C)C(=O)C2=C(C=CC(=C2)CC3=CC=CC=C3)O

DOS

IR

Vibrations