Geometry & MOs

Info

ID:	139656
PubChem CID:	52575514
Reduced:	BrON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	374.09938
ΔH_f, kcal/mol:	-16.51
Dipole, Da:	3.04
IP(EA), eV:	-9.33(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-(3-bromophenyl)ethyl]-1-[(4-ethylphenyl)methyl]-1-methylurea

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C)C(=O)N[C@@H](C)C2=CC(=CC=C2)Br

DOS

IR

Vibrations