Geometry & MOs

Info

ID:	446391
PubChem CID:	135274651
Reduced:	O13C22H46 (1)
Stoich.:	A13B22C46 (1)
Weight, g/mol:	382.392314
ΔH_f, kcal/mol:	-641.7
Dipole, Da:	7.2
IP(EA), eV:	-10.02(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2,8-dimethyl-5-(3-methylbutyl)nonan-5-yl]amino]-4-methyl-3-(methylaminomethyl)pentan-2-one

Drug info:

PubChemData

Smile

CC(CO)(COCC(C)(COCC(C)(CO)O)OC(C)(COC(C)(CO)O)COC(C)(CO)O)O

DOS

IR

Vibrations