Geometry & MOs

Info

ID:	124508
PubChem CID:	50885791
Reduced:	N2O5H14C23 (1)
Stoich.:	A2B5C14D23 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-13.74
Dipole, Da:	6.01
IP(EA), eV:	-9.52(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C3=CC=C(O3)C4=CC=C(C=C4)C(=O)OCC#N

DOS

IR

Vibrations