Geometry & MOs

Info

ID:	212695
PubChem CID:	81061551
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	3.75
IP(EA), eV:	-9.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1-aminoethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1=NC=CC(=C1N)C(=O)O

DOS

IR

Vibrations