Geometry & MOs

Info

ID:	320144
PubChem CID:	126658477
Reduced:	O5N6C22H30 (1)
Stoich.:	A5B6C22D30 (1)
Weight, g/mol:	299.057388
ΔH_f, kcal/mol:	-154.09
Dipole, Da:	7.52
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-2-pyrimidin-5-ylphenoxy)pyridazin-3-amine

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C1=NC(=CO1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations