Geometry & MOs

Info

ID:	74142
PubChem CID:	48421511
Reduced:	ClN3O6C16H24 (1)
Stoich.:	AB3C6D16E24 (1)
Weight, g/mol:	392.194737
ΔH_f, kcal/mol:	-183.49
Dipole, Da:	9.7
IP(EA), eV:	-9.54(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-1-methyl-3-(4-methyl-2-oxochromen-7-yl)urea

Drug info:

PubChemData

Smile

CC(C)OCCOCC(CN(C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)O

DOS

IR

Vibrations