Geometry & MOs

Info

ID:	355956
PubChem CID:	127290946
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	366.09429
ΔH_f, kcal/mol:	-91.16
Dipole, Da:	2.2
IP(EA), eV:	-8.88(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(CNC(=O)NC2CCCOC2)C3=CC=CC=C3

DOS

IR

Vibrations