Geometry & MOs

Info

ID:	336157
PubChem CID:	127255164
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-38.71
Dipole, Da:	4.81
IP(EA), eV:	-8.36(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1CCC2=CC(=C(C=C12)OC)OC)N3C=NN=N3

DOS

IR

Vibrations