Geometry & MOs

Info

ID:	265613
PubChem CID:	103533187
Reduced:	FN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-147.03
Dipole, Da:	4.46
IP(EA), eV:	-8.9(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-cyclopropyl-1-(3,4-dimethoxypyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C(=O)C2=C(C(=CC=C2)F)N

DOS

IR

Vibrations