Geometry & MOs

Info

ID:	354233
PubChem CID:	127286197
Reduced:	ClN3O3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	367.166269
ΔH_f, kcal/mol:	-118.89
Dipole, Da:	6.97
IP(EA), eV:	-8.91(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[2-[cyclopropyl(methyl)amino]propyl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations