Geometry & MOs

Info

ID:	387829
PubChem CID:	134987076
Reduced:	NOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	234.090546
ΔH_f, kcal/mol:	-28.82
Dipole, Da:	3.45
IP(EA), eV:	-8.9(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-5-pyrimidin-4-ylpyridazine

Drug info:

PubChemData

Smile

CC1=CCC2=C(C1)C(=O)NC=C2

DOS

IR

Vibrations