Geometry & MOs

Info

ID:	261769
PubChem CID:	103250040
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-97.64
Dipole, Da:	4.91
IP(EA), eV:	-8.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C/CNC1CCOC2=CC=CC=C12)/C(=O)O

DOS

IR

Vibrations