Geometry & MOs

Info

ID:	144254
PubChem CID:	53338734
Reduced:	NO2C6H13 (1)
Stoich.:	AB2C6D13 (1)
Weight, g/mol:	399.11384
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	3.45
IP(EA), eV:	-9.22(1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-(naphthalen-1-ylmethyl)-3-oxopyridazin-4-yl]-3-phenylpropanenitrile

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](NCCO1)CO

DOS

IR

Vibrations