Geometry & MOs

Info

ID:	293862
PubChem CID:	117407322
Reduced:	NF2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-70.54
Dipole, Da:	1.69
IP(EA), eV:	-9.29(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methyl-3,4-dihydro-2H-chromen-5-yl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=C(C=CC(=C1)C2=CC=C(C=C2)F)F)N

DOS

IR

Vibrations