Geometry & MOs

Info

ID:	263352
PubChem CID:	103358748
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-106.67
Dipole, Da:	2.77
IP(EA), eV:	-8.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)C2=C(C3=C(S2)C=C(C=C3)OC)N)O

DOS

IR

Vibrations