Geometry & MOs

Info

ID:	310821
PubChem CID:	126587840
Reduced:	NSO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	2.17
IP(EA), eV:	-8.67(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-ethyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-3-methylurea

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=CC=CC=C2NC(=O)SC)C

DOS

IR

Vibrations