Geometry & MOs

Info

ID:	444762
PubChem CID:	135263497
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	164.096106
ΔH_f, kcal/mol:	-126.8
Dipole, Da:	4.53
IP(EA), eV:	-9.13(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethyl N-(3-fluoropropyl)carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@H](CNC(=O)O)O

DOS

IR

Vibrations