Geometry & MOs

Info

ID:	346495
PubChem CID:	127270999
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-78.15
Dipole, Da:	3.14
IP(EA), eV:	-8.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)N4CCCC4CN5CCCC5)NC2=O

DOS

IR

Vibrations