Geometry & MOs

Info

ID:	427756
PubChem CID:	135162116
Reduced:	BrON2S2C13H21 (1)
Stoich.:	ABC2D2E13F21 (1)
Weight, g/mol:	260.046489
ΔH_f, kcal/mol:	-9.71
Dipole, Da:	3.53
IP(EA), eV:	-8.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloroanilino)-1,2-dihydropyrazolo[4,3-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1(CCCN1OSN(C)C2=CC=C(C=C2)Br)C.S

DOS

IR

Vibrations