Geometry & MOs

Info

ID:	196699
PubChem CID:	78866266
Reduced:	SN2O4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-204.76
Dipole, Da:	9.02
IP(EA), eV:	-9.33(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-tert-butylphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NCCC(=O)NC(C)CO)C)C

DOS

IR

Vibrations