Geometry & MOs

Info

ID:	142335
PubChem CID:	53018264
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	400.164774
ΔH_f, kcal/mol:	-82.63
Dipole, Da:	7.22
IP(EA), eV:	-9.14(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(CN(CC2)C(=O)NC3CCCC3)C(=N1)COCC4=CC=CC=C4F

DOS

IR

Vibrations