Geometry & MOs

Info

ID:	309987
PubChem CID:	126572420
Reduced:	N2F3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	161.105193
ΔH_f, kcal/mol:	-260.18
Dipole, Da:	2.4
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-propan-2-yloxypropyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC3=C(C(=C2)COCC(F)(F)F)NC(=O)CC3

DOS

IR

Vibrations