Geometry & MOs

Info

ID:	265568
PubChem CID:	103530261
Reduced:	SN2O5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	242.123069
ΔH_f, kcal/mol:	-183.84
Dipole, Da:	5.44
IP(EA), eV:	-9.31(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-4-(3-methoxypyrrolidin-1-yl)aniline

Drug info:

PubChemData

Smile

COC1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)N)C(=O)O

DOS

IR

Vibrations