Geometry & MOs

Info

ID:	377511
PubChem CID:	134223568
Reduced:	NC24H29 (1)
Stoich.:	AB24C29 (1)
Weight, g/mol:	407.423949
ΔH_f, kcal/mol:	21.9
Dipole, Da:	3.61
IP(EA), eV:	-8.92(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[3-[3-(1-amino-5-methylhept-6-en-2-yl)-4-methylcyclopentyl]propyl]-3-methyloctane-1,6-diamine

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)CC2=CC3=C(C=C2)C=CN=C3)CC(C)CC

DOS

IR

Vibrations