Geometry & MOs

Info

ID:	347857
PubChem CID:	127272919
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	338.13972
ΔH_f, kcal/mol:	-140.18
Dipole, Da:	0.6
IP(EA), eV:	-9.23(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-(1,4-dioxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCCC2)CNC(=O)NCCC(=O)N3CCOCC3

DOS

IR

Vibrations