Geometry & MOs

Info

ID:	268986
PubChem CID:	103603977
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	248.155849
ΔH_f, kcal/mol:	-131.72
Dipole, Da:	2.9
IP(EA), eV:	-8.81(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OC(C)C(=O)NCCOC

DOS

IR

Vibrations