Geometry & MOs

Info

ID:	180605
PubChem CID:	76659845
Reduced:	ClN3O6C29H36 (1)
Stoich.:	AB3C6D29E36 (1)
Weight, g/mol:	297.071383
ΔH_f, kcal/mol:	-251.18
Dipole, Da:	6.87
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propylbutan-2-amine;tungsten(2+)

Drug info:

PubChemData

Smile

CC(C)OC(=O)CC1CC2=C(C1)N(C3=C2C=C(C=C3)C#N)CC4C(CCN4C(=O)OC(C)(C)C)OC(=O)CCl

DOS

IR

Vibrations