Geometry & MOs

Info

ID:	272334
PubChem CID:	103739921
Reduced:	BrNSO2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	179.105862
ΔH_f, kcal/mol:	-77.72
Dipole, Da:	1.66
IP(EA), eV:	-9.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-methyl-1-pyridin-4-ylurea

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=CC=C(S1)Br)O

DOS

IR

Vibrations