Geometry & MOs

Info

ID:	378609
PubChem CID:	134224701
Reduced:	N3C14H24 (2)
Stoich.:	A3B14C24 (2)
Weight, g/mol:	225.093583
ΔH_f, kcal/mol:	2.43
Dipole, Da:	3.72
IP(EA), eV:	-8.38(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(methylsulfanylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NNC2=C1CN(C(C2)CC(C)C3=NNC4=C3CCN(C4)CC(C)(C)C)CC(C)(C)C

DOS

IR

Vibrations