Geometry & MOs

Info

ID:	345594
PubChem CID:	127269894
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-139.88
Dipole, Da:	2.02
IP(EA), eV:	-8.72(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-3-yl)-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCNC(=O)NC2CC3=CC=CC=C3OC2

DOS

IR

Vibrations