Geometry & MOs

Info

ID:	293445
PubChem CID:	117389201
Reduced:	FN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	254.159455
ΔH_f, kcal/mol:	-105.54
Dipole, Da:	1.87
IP(EA), eV:	-8.79(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1F)CCN2CCNCC2)O

DOS

IR

Vibrations