Geometry & MOs

Info

ID:	378375
PubChem CID:	134224454
Reduced:	O3N6C28H34 (1)
Stoich.:	A3B6C28D34 (1)
Weight, g/mol:	311.3552
ΔH_f, kcal/mol:	-32.42
Dipole, Da:	3.55
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-7-(2,2-dimethylpropyl)-9,9-dimethyldecan-3-amine

Drug info:

PubChemData

Smile

CCCCC(C(N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O)O

DOS

IR

Vibrations