Geometry & MOs

Info

ID:	427432
PubChem CID:	135158919
Reduced:	PN2O3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	458.27941
ΔH_f, kcal/mol:	-52.9
Dipole, Da:	3.69
IP(EA), eV:	-8.36(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[[5-(1-cyclobutylpiperidin-4-yl)-1,3-dimethylpyridin-2-ylidene]amino]-3-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)prop-2-enal

Drug info:

PubChemData

Smile

CCCN1CCC(=CC1)C2=CN3C(C=C2)PC(=CC3=O)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations