Geometry & MOs

Info

ID:	313317
PubChem CID:	126613726
Reduced:	O5C27H38 (1)
Stoich.:	A5B27C38 (1)
Weight, g/mol:	421.464751
ΔH_f, kcal/mol:	-200.15
Dipole, Da:	2.79
IP(EA), eV:	-8.75(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-ethyl-2,4,4,5-tetramethylheptan-2-yl)cycloheptyl]-2,4,5-trimethylhexan-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=C(C=C1)OCCC(=O)OC2=C(C=CC=C2COC)COC)C(C)C

DOS

IR

Vibrations