Geometry & MOs

Info

ID:	139053
PubChem CID:	52465708
Reduced:	ON4C16H27 (1)
Stoich.:	AB4C16D27 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-9.46
Dipole, Da:	4.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752259
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(3-ethylphenoxy)pyridin-3-yl]-3-prop-2-enylurea

Drug info:

PubChemData

Smile

CCCC(=O)NCC1=CN=C(C=C1)N2CC[NH+](CC2)CC

DOS

IR

Vibrations