Geometry & MOs

Info

ID:	345382
PubChem CID:	127269682
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-136.12
Dipole, Da:	3.88
IP(EA), eV:	-8.25(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-6-yl)-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations