Geometry & MOs

Info

ID:	261195
PubChem CID:	103221985
Reduced:	FON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	-21.29
Dipole, Da:	4.88
IP(EA), eV:	-9.21(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopropylmethylamino)-2-(2-thiophen-3-ylethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)CN2C(=O)C=C(C=N2)NCC3CC3

DOS

IR

Vibrations