Geometry & MOs

Info

ID:	183318
PubChem CID:	77006668
Reduced:	ClON5C12H18 (1)
Stoich.:	ABC5D12E18 (1)
Weight, g/mol:	327.06947
ΔH_f, kcal/mol:	15.34
Dipole, Da:	0.6
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-3-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrazolo[3,4-c]pyrazol-4-amine

Drug info:

PubChemData

Smile

COCC1C2C(NNC2N(N1)C3=CC(=CC=C3)Cl)N

DOS

IR

Vibrations