Geometry & MOs

Info

ID:	349825
PubChem CID:	127276217
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	8.45
Dipole, Da:	5.21
IP(EA), eV:	-8.53(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)N3CCCC3CN4CCCCC4)C

DOS

IR

Vibrations