Geometry & MOs

Info

ID:	446360
PubChem CID:	135274371
Reduced:	O4N5C13H13 (1)
Stoich.:	A4B5C13D13 (1)
Weight, g/mol:	213.24565
ΔH_f, kcal/mol:	-51.71
Dipole, Da:	2.51
IP(EA), eV:	-9.3(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N,N,2-tri(propan-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

C1=C(C2=C(N=CN=C2N1C3[C@H]4C3(C([C@H](O4)CO)O)O)N)C#N

DOS

IR

Vibrations