Geometry & MOs

Info

ID:	207514
PubChem CID:	80407177
Reduced:	ClON5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	69.34
Dipole, Da:	6.7
IP(EA), eV:	-9.0(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]urea

Drug info:

PubChemData

Smile

COCC(C1CC1)NC2=C(C=CC(=C2)N3C=NN=N3)Cl

DOS

IR

Vibrations