Geometry & MOs

Info

ID:	355951
PubChem CID:	127290941
Reduced:	O3N5C15H25 (1)
Stoich.:	A3B5C15D25 (1)
Weight, g/mol:	366.09429
ΔH_f, kcal/mol:	-85.33
Dipole, Da:	0.92
IP(EA), eV:	-8.9(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)NCC3COCCO3

DOS

IR

Vibrations