Geometry & MOs

Info

ID:	198798
PubChem CID:	79153050
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	-77.76
Dipole, Da:	2.84
IP(EA), eV:	-8.07(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N)CNC(=O)N2CCCCCC2

DOS

IR

Vibrations