Geometry & MOs

Info

ID:	184441
PubChem CID:	77161244
Reduced:	N2O4C21H34 (1)
Stoich.:	A2B4C21D34 (1)
Weight, g/mol:	360.182923
ΔH_f, kcal/mol:	-199.36
Dipole, Da:	3.62
IP(EA), eV:	-8.34(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(1-amino-2-phenylethyl)-4-chloro-1H-imidazol-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine

Drug info:

PubChemData

Smile

CCCCCC(=O)OCC(C)(C=CC1=CC=CN1C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations