Geometry & MOs

Info

ID:	395579
PubChem CID:	135025884
Reduced:	NC16H24 (2)
Stoich.:	AB16C24 (2)
Weight, g/mol:	460.38175
ΔH_f, kcal/mol:	75.47
Dipole, Da:	1.89
IP(EA), eV:	-8.67(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[4-[4-methyl-3-[2-methylpropyl(prop-2-enyl)amino]pent-1-ynyl]phenyl]-N-(2-methylpropyl)-N-prop-2-enylpent-1-yn-3-amine

Drug info:

PubChemData

Smile

CC(C)CN(CC=C)C(C#CC1=CC(=CC=C1)C#CC(C(C)C)N(CC=C)CC(C)C)C(C)C

DOS

IR

Vibrations