Geometry & MOs

Info

ID:	149621
PubChem CID:	53789295
Reduced:	ON3C16H35 (1)
Stoich.:	AB3C16D35 (1)
Weight, g/mol:	239.109233
ΔH_f, kcal/mol:	-100.74
Dipole, Da:	5.73
IP(EA), eV:	-9.27(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(dimethylamino)methyl]-3-methyl-2-sulfanylphenyl]urea

Drug info:

PubChemData

Smile

CCCCCN(CCCCC)C(=O)[C@@H](CCCCN)N

DOS

IR

Vibrations