Geometry & MOs

Info

ID:	367290
PubChem CID:	127324067
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	351.134969
ΔH_f, kcal/mol:	-45.77
Dipole, Da:	2.18
IP(EA), eV:	-9.51(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CCCC(C3)C

DOS

IR

Vibrations