Geometry & MOs

Info

ID:	63898
PubChem CID:	26759442
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-218.12
Dipole, Da:	6.1
IP(EA), eV:	-8.68(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCCCC1)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations