Geometry & MOs

Info

ID:	307432
PubChem CID:	125299931
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	409.138619
ΔH_f, kcal/mol:	-54.21
Dipole, Da:	8.62
IP(EA), eV:	-8.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethoxy-3-methoxyphenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1[C@@H](C2=C(C1=O)N=N[C@H]2C3=C(C=C(C=C3O)C)C)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations