Geometry & MOs

Info

ID:	433576
PubChem CID:	135173716
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	571.569216
ΔH_f, kcal/mol:	-83.12
Dipole, Da:	4.55
IP(EA), eV:	-9.69(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(3,3-dimethylheptoxy)-2-methylpropyl]phenyl]-5-heptyl-2-methyldodecan-4-amine

Drug info:

PubChemData

Smile

COCCCCOCCCC1=NOC=C1

DOS

IR

Vibrations