Geometry & MOs

Info

ID:	318387
PubChem CID:	126651046
Reduced:	O2N4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	248.225249
ΔH_f, kcal/mol:	6.78
Dipole, Da:	3.01
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(aminomethyl)-2-octan-3-ylphenyl]methanamine

Drug info:

PubChemData

Smile

CC1CC(=CCN1)C2=CC=CC(=C2)C3=CC4=C(C=C3)N5C=C(N=C5CO4)CN6CCOCC6

DOS

IR

Vibrations