Geometry & MOs

Info

ID:	394202
PubChem CID:	135022528
Reduced:	NOC20H27 (1)
Stoich.:	ABC20D27 (1)
Weight, g/mol:	498.1617
ΔH_f, kcal/mol:	-40.63
Dipole, Da:	3.25
IP(EA), eV:	-9.28(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3S)-3-(2-bromoethyl)-2-[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-1,3-dioxolan-2-yl]-1-methylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CCCC[C@]12CCCN(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations