Geometry & MOs

Info

ID:	198853
PubChem CID:	79162071
Reduced:	ON5C7H13 (1)
Stoich.:	AB5C7D13 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-4.68
Dipole, Da:	6.62
IP(EA), eV:	-9.35(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-1-ethyl-1-methylurea

Drug info:

PubChemData

Smile

CCN(CC)C(=O)NC1=NC=NN1

DOS

IR

Vibrations