Geometry & MOs

Info

ID:	448705
PubChem CID:	135292898
Reduced:	NO3C45H91 (1)
Stoich.:	AB3C45D91 (1)
Weight, g/mol:	889.955382
ΔH_f, kcal/mol:	-303.19
Dipole, Da:	2.52
IP(EA), eV:	-8.89(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(3-methoxy-3-methylbutoxy)-2,2,4,4,6-pentamethylheptyl]-N-methylhentetracontan-21-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCCCCCCCCCCC)N(C)C(=O)C(C)(C)CC(C)(C)CCC(C)(C)OCCC(C)(C)OC

DOS

IR

Vibrations