Geometry & MOs

Info

ID:	37894
PubChem CID:	8025364
Reduced:	N2O2F3C18H23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	396.171689
ΔH_f, kcal/mol:	-204.32
Dipole, Da:	4.12
IP(EA), eV:	-8.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[[(2S)-2-(diethylamino)-2-phenylethyl]amino]-2-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(=NC[C@H](C1=CC=C(C=C1)OC)N2CCCC2)CC(=O)C(F)(F)F

DOS

IR

Vibrations