Geometry & MOs

Info

ID:	248043
PubChem CID:	103078492
Reduced:	F3N4C7H11 (1)
Stoich.:	A3B4C7D11 (1)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	-126.11
Dipole, Da:	5.13
IP(EA), eV:	-8.15(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-[(4-methylcyclohexyl)methyl]pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCC(F)(F)F)N

DOS

IR

Vibrations