Geometry & MOs

Info

ID:	293599
PubChem CID:	117394071
Reduced:	OF2N2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	256.13872
ΔH_f, kcal/mol:	-106.46
Dipole, Da:	1.61
IP(EA), eV:	-8.79(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,4-difluoro-6-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C=C1)CN2CCNCC2)F)F

DOS

IR

Vibrations