Geometry & MOs

Info

ID:	198849
PubChem CID:	79161468
Reduced:	OSN3C9H19 (1)
Stoich.:	ABC3D9E19 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-62.05
Dipole, Da:	8.1
IP(EA), eV:	-8.32(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-diethyl-3-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]urea

Drug info:

PubChemData

Smile

CCN(CC)C(=O)NCC(C)C(=S)N

DOS

IR

Vibrations