Geometry & MOs

Info

ID:	333978
PubChem CID:	127252530
Reduced:	N3O6C29H31 (1)
Stoich.:	A3B6C29D31 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-160.17
Dipole, Da:	1.6
IP(EA), eV:	-9.01(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NC2CCN(CC2)CC3=CC=C(C=C3)C#N)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations