Geometry & MOs

Info

ID:	389064
PubChem CID:	134991053
Reduced:	ClN2O2C17H25 (1)
Stoich.:	AB2C2D17E25 (1)
Weight, g/mol:	652.10787
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	3.02
IP(EA), eV:	-8.52(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCC2(CC1)COC3=C4[N+](=CN23)C5(CCCCC5)CO4.[Cl-]

DOS

IR

Vibrations