Geometry & MOs

Info

ID:	39276
PubChem CID:	8140035
Reduced:	FN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	360.14788
ΔH_f, kcal/mol:	-126.08
Dipole, Da:	3.8
IP(EA), eV:	-9.07(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-[(4-chlorobenzoyl)amino]acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)O[C@@H](C)C2=NN=C(O2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations