Geometry & MOs

Info

ID:	358132
PubChem CID:	127295677
Reduced:	ClN3O3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	368.150285
ΔH_f, kcal/mol:	-118.37
Dipole, Da:	8.01
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations