Geometry & MOs

Info

ID:	354010
PubChem CID:	127285667
Reduced:	O2N4C21H34 (1)
Stoich.:	A2B4C21D34 (1)
Weight, g/mol:	395.12084
ΔH_f, kcal/mol:	-77.27
Dipole, Da:	5.24
IP(EA), eV:	-8.86(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-[(4-methylmorpholin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(CNC(=O)NCC2CN(CCO2)C)C3=CC=CC=C3

DOS

IR

Vibrations