Geometry & MOs

Info

ID:	140117
PubChem CID:	52650983
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	12.34
Dipole, Da:	4.59
IP(EA), eV:	-9.09(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(1-phenylcyclobutyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H]2CCCN(C2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

DOS

IR

Vibrations