Geometry & MOs

Info

ID:	63311
PubChem CID:	26750568
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-171.65
Dipole, Da:	4.68
IP(EA), eV:	-9.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations