Geometry & MOs

Info

ID:	167237
PubChem CID:	74796889
Reduced:	FO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	438.224261
ΔH_f, kcal/mol:	-66.07
Dipole, Da:	3.04
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCNC(=O)C1C2CN(CCC2NN1)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations