Geometry & MOs

Info

ID:	39029
PubChem CID:	8138392
Reduced:	ClO2F3N5C17H18 (1)
Stoich.:	AB2C3D5E17F18 (1)
Weight, g/mol:	415.102287
ΔH_f, kcal/mol:	-180.69
Dipole, Da:	5.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924382
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NNC(=O)C2=CC=CN2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

DOS

IR

Vibrations