Geometry & MOs

Info

ID:	272538
PubChem CID:	103744778
Reduced:	O3N5C9H9 (1)
Stoich.:	A3B5C9D9 (1)
Weight, g/mol:	179.105862
ΔH_f, kcal/mol:	47.83
Dipole, Da:	4.69
IP(EA), eV:	-9.47(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,3-trimethyl-3-pyridin-4-ylurea

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NCCC2=NOC=N2)[N+](=O)[O-]

DOS

IR

Vibrations