Geometry & MOs

Info

ID:	84768
PubChem CID:	49869761
Reduced:	O4C25H44 (1)
Stoich.:	A4B25C44 (1)
Weight, g/mol:	411.386501
ΔH_f, kcal/mol:	-221.14
Dipole, Da:	1.36
IP(EA), eV:	-8.85(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-prop-2-ynylpentacosa-10,12-diyn-1-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC1=C(C=C(O1)C(=O)OCCCCC)C

DOS

IR

Vibrations