Geometry & MOs

Info

ID:	258630
PubChem CID:	103155803
Reduced:	FNO2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	243.194677
ΔH_f, kcal/mol:	-244.25
Dipole, Da:	1.14
IP(EA), eV:	-9.68(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC(=C(C=C1C(=O)O)F)F)CN

DOS

IR

Vibrations