Geometry & MOs

Info

ID:	333983
PubChem CID:	127252535
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-51.88
Dipole, Da:	6.03
IP(EA), eV:	-7.99(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC4=C(N3C)C=C(C=C4OC)OC

DOS

IR

Vibrations