Geometry & MOs

Info

ID:	346988
PubChem CID:	127271492
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	349.18017
ΔH_f, kcal/mol:	-23.73
Dipole, Da:	3.46
IP(EA), eV:	-9.2(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)OC=C2)NC(=O)NC3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations