Geometry & MOs

Info

ID:	167017
PubChem CID:	74766346
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-25.5
Dipole, Da:	4.04
IP(EA), eV:	-9.05(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[4-(3,4-dimethoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-(2-piperidin-1-ylethoxy)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C/C(=C/3\NOC(=N3)CCCC(=O)NC4CCCCC4)/C(=O)N=C2C=C1

DOS

IR

Vibrations