Geometry & MOs

Info

ID:	341047
PubChem CID:	127263482
Reduced:	BrClN2O2C15H20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	4.17
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-[4-(oxan-2-yloxymethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCN(CC1)C2=CN=CC(=C2Cl)Br

DOS

IR

Vibrations