Geometry & MOs

Info

ID:	425599
PubChem CID:	135126894
Reduced:	F3N3O6H18C19 (1)
Stoich.:	A3B3C6D18E19 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-352.21
Dipole, Da:	5.03
IP(EA), eV:	-9.54(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-(aminomethyl)phenyl]methylamino]propanoate

Drug info:

PubChemData

Smile

C1CC2=C(C(=CC(=C2)F)C(=O)NC3=NC(=O)N(C=C3)C4C([C@@H](C(O4)CO)O)(F)F)OC1

DOS

IR

Vibrations