Geometry & MOs

Info

ID:	432933
PubChem CID:	135173070
Reduced:	FON9H28C29 (1)
Stoich.:	ABC9D28E29 (1)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	132.56
Dipole, Da:	6.72
IP(EA), eV:	-8.64(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-propan-2-yl-N-(propan-2-ylideneamino)butanamide

Drug info:

PubChemData

Smile

CN/C(=C\C1=C(N=NC1=C)C2=NC3=C(N2)C=NC=C3C4=CC(=CC(=C4)F)OCCN5CCCC5)/C6=NC=CN=C6

DOS

IR

Vibrations