Geometry & MOs

Info

ID:	387482
PubChem CID:	134985532
Reduced:	N2F3O5C18H23 (1)
Stoich.:	A2B3C5D18E23 (1)
Weight, g/mol:	174.136828
ΔH_f, kcal/mol:	-305.38
Dipole, Da:	3.14
IP(EA), eV:	-9.58(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-N-[2-hydroxypropyl(dimethyl)azaniumyl]propanimidate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)[C@H](C[N+](=O)[O-])[C@@H](C(=O)OC(C)(C)C)NC(=O)C(F)(F)F

DOS

IR

Vibrations