Geometry & MOs

Info

ID:	170606
PubChem CID:	75258628
Reduced:	FON3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	27.66
Dipole, Da:	4.89
IP(EA), eV:	-8.78(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC#C)CC2CNNC2C3=CC=C(C=C3)F

DOS

IR

Vibrations