Geometry & MOs

Info

ID:	345313
PubChem CID:	127269562
Reduced:	ON5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	282.205576
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	5.43
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxopiperidin-3-yl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCCN1CCC(C1)CNC(=O)N2CCCC2C3=NC4=CC=CC=C4N3CC

DOS

IR

Vibrations