Geometry & MOs

Info

ID:	171871
PubChem CID:	75435656
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	327.151368
ΔH_f, kcal/mol:	63.13
Dipole, Da:	2.46
IP(EA), eV:	-7.99(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]-1-ethyl-1-methylurea

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC=C1N(C)CC2=CC(=O)N3C(=N2)C=CN3

DOS

IR

Vibrations