Geometry & MOs

Info

ID:	418642
PubChem CID:	135106493
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	70.58
Dipole, Da:	3.62
IP(EA), eV:	-9.18(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(5-acetyl-4-methylpyrimidin-2-yl)amino]ethyl]-6-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations