Geometry & MOs

Info

ID:	367317
PubChem CID:	127324101
Reduced:	ON7C18H29 (1)
Stoich.:	AB7C18D29 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	14.59
Dipole, Da:	2.35
IP(EA), eV:	-8.51(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-4-ylmethyl)-3-(1-cyclopropylpyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NCCN3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations