Geometry & MOs

Info

ID:	355957
PubChem CID:	127290947
Reduced:	BrN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	366.09429
ΔH_f, kcal/mol:	-71.47
Dipole, Da:	6.16
IP(EA), eV:	-9.53(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)NCC2(CCC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations