Geometry & MOs

Info

ID:	328886
PubChem CID:	126728735
Reduced:	NO7C12H21 (1)
Stoich.:	AB7C12D21 (1)
Weight, g/mol:	459.217636
ΔH_f, kcal/mol:	-352.23
Dipole, Da:	6.84
IP(EA), eV:	-10.78(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroanthracen-9-ylmethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NC(CCC(O)O)(CCC(=O)O)CCC(=O)O

DOS

IR

Vibrations