Geometry & MOs

Info

ID:	174910
PubChem CID:	75831223
Reduced:	Cl2N2O3C17H23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	370.072522
ΔH_f, kcal/mol:	-116.33
Dipole, Da:	4.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.016479
Charge, e:	1

Chem-info

IUPAC name:

(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)C[NH+](C)C2C(CC3=C2C=C(C=C3Cl)Cl)O

DOS

IR

Vibrations