Geometry & MOs

Info

ID:	148096
PubChem CID:	53787758
Reduced:	SO3C22H24 (1)
Stoich.:	AB3C22D24 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-94.87
Dipole, Da:	2.77
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-7-[(3-methoxyphenyl)methoxy]-2,3-dimethylpyrrolo[2,3-d]pyridazine

Drug info:

PubChemData

Smile

CC(C)CCC1(CC(=O)C(C(=O)O1)SC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations