Geometry & MOs

Info

ID:	345371
PubChem CID:	127269671
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-129.98
Dipole, Da:	3.68
IP(EA), eV:	-8.26(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3,4-dihydro-2H-chromen-6-yl)-1-methylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations