Geometry & MOs

Info

ID:	291751
PubChem CID:	113468282
Reduced:	NBr2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	3.14
IP(EA), eV:	-9.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminoethyl)-1-(2-methoxyethyl)-3-phenylurea

Drug info:

PubChemData

Smile

COCCN(CCBr)C(=O)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations