Geometry & MOs

Info

ID:	297663
PubChem CID:	117625152
Reduced:	N8C9H10 (1)
Stoich.:	A8B9C10 (1)
Weight, g/mol:	199.193614
ΔH_f, kcal/mol:	128.65
Dipole, Da:	3.25
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(tert-butylamino)-3-methylheptan-2-one

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCN2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations