Geometry & MOs

Info

ID:	136869
PubChem CID:	52115950
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-7.87
Dipole, Da:	5.45
IP(EA), eV:	-8.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)C

DOS

IR

Vibrations