Geometry & MOs

Info

ID:	436101
PubChem CID:	135193837
Reduced:	F2O2H8C17 (1)
Stoich.:	A2B2C8D17 (1)
Weight, g/mol:	526.255561
ΔH_f, kcal/mol:	-97.54
Dipole, Da:	5.24
IP(EA), eV:	-9.39(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[[4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CC3=C2C(=O)C4=C(O3)C=CC(=C4)F)F

DOS

IR

Vibrations