Geometry & MOs

Info

ID:	58216
PubChem CID:	24434792
Reduced:	ClON4H9C13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	346.190595
ΔH_f, kcal/mol:	87.4
Dipole, Da:	8.02
IP(EA), eV:	-8.61(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NNC2=C3C=C(C=CC3=NC2=O)Cl

DOS

IR

Vibrations