Geometry & MOs

Info

ID:	138908
PubChem CID:	52441526
Reduced:	ClN3O4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	226.087291
ΔH_f, kcal/mol:	-155.62
Dipole, Da:	6.8
IP(EA), eV:	-8.68(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chlorophenyl)methyl]-3-ethyl-1-methylurea

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)N2CCN(CC2)C(=O)[C@@H]3CCCO3

DOS

IR

Vibrations