Geometry & MOs

Info

ID:	349557
PubChem CID:	127275444
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-141.68
Dipole, Da:	3.67
IP(EA), eV:	-8.45(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)N2CCCC2C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations