Geometry & MOs

Info

ID:	308269
PubChem CID:	125325189
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	314.082205
ΔH_f, kcal/mol:	-35.31
Dipole, Da:	6.33
IP(EA), eV:	-8.85(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5S)-3-(4-chlorophenyl)-5-methyl-1,5-dihydropyrazol-4-ylidene]-4-methoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)[C@H](C(=O)NC2=O)[C@H]3[C@H]4C(=C5C=CC=CC5=N4)CCN3C)C

DOS

IR

Vibrations