Geometry & MOs

Info

ID:	183391
PubChem CID:	77016045
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	3.19
Dipole, Da:	2.57
IP(EA), eV:	-8.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(pyrazolidin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)C(=O)N(C)C2=CN=CC=C2

DOS

IR

Vibrations