Geometry & MOs

Info

ID:	209893
PubChem CID:	80736192
Reduced:	ClFN2S2O4H8C11 (1)
Stoich.:	ABC2D2E4F8G11 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-65.72
Dipole, Da:	2.88
IP(EA), eV:	-9.39(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1F)S(=O)(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations