Geometry & MOs

Info

ID:	335039
PubChem CID:	127253845
Reduced:	N3O5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-103.52
Dipole, Da:	5.84
IP(EA), eV:	-8.17(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=COC6=C(C5=O)C=C(C=C6)OC

DOS

IR

Vibrations