Geometry & MOs

Info

ID:	181454
PubChem CID:	76747727
Reduced:	ClO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	526.03399
ΔH_f, kcal/mol:	-20.2
Dipole, Da:	6.26
IP(EA), eV:	-8.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-ethylbenzene;tert-butyl 4-hydroxybutanoate;tungsten(2+)

Drug info:

PubChemData

Smile

C1C(N=C(O1)N)CCC2=CC=C(C=C2)NC(=O)NC3=CN=C(C=C3)Cl

DOS

IR

Vibrations