Geometry & MOs

Info

ID:	167238
PubChem CID:	74796890
Reduced:	O2F3N4C22H29 (1)
Stoich.:	A2B3C4D22E29 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-214.89
Dipole, Da:	5.0
IP(EA), eV:	-8.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylphenyl)methyl]-5-propanoyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)C2C3CN(CCC3NN2)C(=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations