Geometry & MOs

Info

ID:	190009
PubChem CID:	77940237
Reduced:	N2O3C26H36 (1)
Stoich.:	A2B3C26D36 (1)
Weight, g/mol:	307.181526
ΔH_f, kcal/mol:	-124.08
Dipole, Da:	3.68
IP(EA), eV:	-8.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-amine

Drug info:

PubChemData

Smile

CCCCOC1=C(C(=NC2=CC=CC=C21)C=CC3CCN(CC3)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations