Geometry & MOs

Info

ID:	83849
PubChem CID:	49861773
Reduced:	ClN2O4C21H39 (1)
Stoich.:	AB2C4D21E39 (1)
Weight, g/mol:	474.356991
ΔH_f, kcal/mol:	-245.21
Dipole, Da:	5.89
IP(EA), eV:	-8.95(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridin-9-ylamino)cyclohexyl]carbamoylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)N1CCN(CC1)C(=O)CCC(=O)C2CCC(C(C2)OC)OC.Cl

DOS

IR

Vibrations