Geometry & MOs

Info

ID:	429470
PubChem CID:	135169519
Reduced:	ON5H27C44 (1)
Stoich.:	AB5C27D44 (1)
Weight, g/mol:	310.240899
ΔH_f, kcal/mol:	223.89
Dipole, Da:	3.66
IP(EA), eV:	-8.25(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(benzylamino)-2-methylpropyl]-N-tert-butylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=C(C6=C4C7=C(C=C6)N=C(O7)C8=CC=CC=C8)C9=CC=CC=C9C=C5)C1=CC=CC=C1

DOS

IR

Vibrations