Geometry & MOs

Info

ID:	281001
PubChem CID:	103852362
Reduced:	O2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	241.088498
ΔH_f, kcal/mol:	-41.58
Dipole, Da:	7.31
IP(EA), eV:	-9.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)C2=CN=NC=C2)O

DOS

IR

Vibrations