Geometry & MOs

Info

ID:	367271
PubChem CID:	127324048
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-89.24
Dipole, Da:	7.9
IP(EA), eV:	-8.63(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)C(=O)NCC2CCN(C2)C3CC3

DOS

IR

Vibrations