Geometry & MOs

Info

ID:	247990
PubChem CID:	103077990
Reduced:	ClFN4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	208.168797
ΔH_f, kcal/mol:	19.06
Dipole, Da:	6.01
IP(EA), eV:	-8.28(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-cycloheptyl-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=C(C(=CC=C2)Cl)F)N

DOS

IR

Vibrations