Geometry & MOs

Info

ID:	444767
PubChem CID:	135263512
Reduced:	NF2O5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	646.351906
ΔH_f, kcal/mol:	-294.5
Dipole, Da:	2.85
IP(EA), eV:	-9.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-aminopropyl-[5-[3-aminopropyl(carboxy)amino]-1-(9H-fluoren-9-yl)-2-(9H-fluoren-9-ylmethyl)pentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C2OCCO2)F)OCCOC(=O)NCCCF

DOS

IR

Vibrations