Geometry & MOs

Info

ID:	63727
PubChem CID:	26759053
Reduced:	FNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	349.188923
ΔH_f, kcal/mol:	-213.67
Dipole, Da:	9.12
IP(EA), eV:	-8.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)OC)OC)F

DOS

IR

Vibrations