Geometry & MOs

Info

ID:	346974
PubChem CID:	127271478
Reduced:	O3N7C18H27 (1)
Stoich.:	A3B7C18D27 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-95.31
Dipole, Da:	6.6
IP(EA), eV:	-8.78(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[oxolan-2-yl(phenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations