Geometry & MOs

Info

ID:	356665
PubChem CID:	127292146
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	3.65
IP(EA), eV:	-9.22(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-oxoazepan-3-yl)urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCN(CC2)C(=O)NC

DOS

IR

Vibrations