Geometry & MOs

Info

ID:	216845
PubChem CID:	85086872
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	46.86
Dipole, Da:	5.4
IP(EA), eV:	-9.22(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylethynyl)-N-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=NC(=O)C3C=NN(C3=N2)C4CCCC4

DOS

IR

Vibrations