Geometry & MOs

Info

ID:	40555
PubChem CID:	8144324
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	354.124739
ΔH_f, kcal/mol:	-92.3
Dipole, Da:	6.11
IP(EA), eV:	-8.53(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-(4-chlorophenyl)-4-[[4-(dimethylamino)anilino]methylidene]-5-methylpyrazol-3-one

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)OC)N3CCCC3

DOS

IR

Vibrations