Geometry & MOs

Info

ID:	64764
PubChem CID:	29203966
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	28.63
Dipole, Da:	5.41
IP(EA), eV:	-9.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CN(N=C1C2=CC=CC=C2C)C3=CC=CC=C3

DOS

IR

Vibrations