Geometry & MOs

Info

ID:	121538
PubChem CID:	50772569
Reduced:	FSO2N6C26H31 (1)
Stoich.:	ABC2D6E26F31 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-25.22
Dipole, Da:	9.65
IP(EA), eV:	-7.98(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CNC(=O)CN(C)C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)F)NC(C)(C)C

DOS

IR

Vibrations