Geometry & MOs

Info

ID:	183177
PubChem CID:	76985941
Reduced:	ClN3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	203.142248
ΔH_f, kcal/mol:	21.59
Dipole, Da:	4.7
IP(EA), eV:	-8.88(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazol-3-amine

Drug info:

PubChemData

Smile

CC(C)NC1CC(NN1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations