Geometry & MOs

Info

ID:	440053
PubChem CID:	135229938
Reduced:	NO2H45C67 (1)
Stoich.:	AB2C45D67 (1)
Weight, g/mol:	208.137577
ΔH_f, kcal/mol:	207.49
Dipole, Da:	1.18
IP(EA), eV:	-8.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=C(C=C4)C5=CC=CC6=C5OC7=CC=CC=C67)C89CC8C1=C(C=C9)C2(C3=C(C4=CC=CC=C4C=C3)OC3=C2C=CC2=CC=CC=C23)C2=CC=CC=C21)C

DOS

IR

Vibrations