Geometry & MOs

Info

ID:	349654
PubChem CID:	127275806
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	2.33
IP(EA), eV:	-8.71(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)-1-methylurea

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations