Geometry & MOs

Info

ID:	129942
PubChem CID:	51074327
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-26.88
Dipole, Da:	5.77
IP(EA), eV:	-9.57(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-4-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CCC(=O)N)C(=O)CC2=NOC3=CC=CC=C32

DOS

IR

Vibrations