Geometry & MOs

Info

ID:	64763
PubChem CID:	29203964
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-39.47
Dipole, Da:	5.27
IP(EA), eV:	-8.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CN(N=C1C2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3

DOS

IR

Vibrations