Geometry & MOs

Info

ID:	335513
PubChem CID:	127254375
Reduced:	ClN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-66.27
Dipole, Da:	5.87
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylindol-5-yl)urea

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC2CCCC3=C2NC4=C3C=CC=C4Cl

DOS

IR

Vibrations