Geometry & MOs

Info

ID:	309305
PubChem CID:	126543911
Reduced:	N3H37C48 (1)
Stoich.:	A3B37C48 (1)
Weight, g/mol:	263.224915
ΔH_f, kcal/mol:	205.51
Dipole, Da:	1.02
IP(EA), eV:	-8.42(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]hexan-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CCCC(=C2C3=CC=CC=C31)C4=CC=CC(=C4)C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC(=CC(=C7)C8=CC=CC=C8)C9=CC=CC=C9)C

DOS

IR

Vibrations