Geometry & MOs

Info

ID:	79739
PubChem CID:	49830202
Reduced:	NO2C22H23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	379.161995
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	2.44
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(5-methylpyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CC[C@]2(CC1C(=CC3=CC=CC=C3)C(=O)C2)C4=CC(=CC=C4)O

DOS

IR

Vibrations