Geometry & MOs

Info

ID:	346923
PubChem CID:	127271427
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	351.19582
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	5.05
IP(EA), eV:	-8.89(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CCCN(C2)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4

DOS

IR

Vibrations